N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene

C174H116N6O3 — CID 160737128

IUPACN-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5oc4c4c5c6ccccc6ccc5n(-c5ccc(-c6ccccc6)cc5)c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5c6c7ccccc7ccc6n(-c6ccc(-c7ccccc7)cc6)c45)cc3)cc21.c1ccc(-c2ccc(-n3c4ccc5ccccc5c4c4c5oc6ccccc6c5cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/2C61H42N2O.C52H32N2O/c1-61(2)53-23-13-11-21-48(53)49-35-34-46(37-54(49)61)62(43-18-7-4-8-19-43)44-32-27-42(28-33-44)51-38-52-50-22-12-14-24-56(50)64-60(52)58-57-47-20-10-9-17-41(47)29-36-55(57)63(59(51)58)45-30-25-40(26-31-45)39-15-5-3-6-16-39;1-61(2)52-23-13-11-21-48(52)49-35-34-46(37-53(49)61)62(44-30-25-41(26-31-44)39-15-5-3-6-16-39)55-38-51-50-22-12-14-24-56(50)64-60(51)58-57-47-20-10-9-19-43(47)29-36-54(57)63(59(55)58)45-32-27-42(28-33-45)40-17-7-4-8-18-40;1-3-13-33(14-4-1)34-23-27-38(28-24-34)54-47-30-25-35-15-7-8-18-39(35)49(47)50-51(54)42(32-44-41-20-10-12-22-48(41)55-52(44)50)36-26-29-46-43(31-36)40-19-9-11-21-45(40)53(46)37-16-5-2-6-17-37/h2*3-38H,1-2H3;1-32H
InChIKeyRVCJHDRYROHSQZ-UHFFFAOYSA-N
MW2338.88 g/mol
LogP48.16
Rot. Bonds16

About N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene

N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene (PubChem CID 160737128) has the molecular formula C174H116N6O3 and a molecular weight of 2338.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
PubChem CID160737128
Molecular FormulaC174H116N6O3
Molecular Weight2338.88 g/mol
Exact Mass2336.91
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5oc4c4c5c6ccccc6ccc5n(-c5ccc(-c6ccccc6)cc5)c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5c6c7ccccc7ccc6n(-c6ccc(-c7ccccc7)cc6)c45)cc3)cc21.c1ccc(-c2ccc(-n3c4ccc5ccccc5c4c4c5oc6ccccc6c5cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/2C61H42N2O.C52H32N2O/c1-61(2)53-23-13-11-21-48(53)49-35-34-46(37-54(49)61)62(43-18-7-4-8-19-43)44-32-27-42(28-33-44)51-38-52-50-22-12-14-24-56(50)64-60(52)58-57-47-20-10-9-17-41(47)29-36-55(57)63(59(51)58)45-30-25-40(26-31-45)39-15-5-3-6-16-39;1-61(2)52-23-13-11-21-48(52)49-35-34-46(37-53(49)61)62(44-30-25-41(26-31-44)39-15-5-3-6-16-39)55-38-51-50-22-12-14-24-56(50)64-60(51)58-57-47-20-10-9-19-43(47)29-36-54(57)63(59(55)58)45-32-27-42(28-33-45)40-17-7-4-8-18-40;1-3-13-33(14-4-1)34-23-27-38(28-24-34)54-47-30-25-35-15-7-8-18-39(35)49(47)50-51(54)42(32-44-41-20-10-12-22-48(41)55-52(44)50)36-26-29-46-43(31-36)40-19-9-11-21-45(40)53(46)37-16-5-2-6-17-37/h2*3-38H,1-2H3;1-32H
InChIKeyRVCJHDRYROHSQZ-UHFFFAOYSA-N
XLogP48.16
TPSA65.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002338.88
LogP ≤ 548.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene with MolForge

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Related Compounds

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CID 159213224
14-(4-carbazol-9-ylphenyl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
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7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-2-amine
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9,9-dimethyl-N-[4-(12-naphthalen-2-yl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-phenylfluoren-2-amine
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30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;11,30-diphenyl-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
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CID 90393592

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene (CID 160737128) is N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5oc4c4c5c6ccccc6ccc5n(-c5ccc(-c6ccccc6)cc5)c34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccccc6oc5c5c6c7ccccc7ccc6n(-c6ccc(-c7ccccc7)cc6)c45)cc3)cc21.c1ccc(-c2ccc(-n3c4ccc5ccccc5c4c4c5oc6ccccc6c5cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?
The InChIKey is RVCJHDRYROHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H42N2O.C52H32N2O/c1-61(2)53-23-13-11-21-48(53)49-35-34-46(37-54(49)61)62(43-18-7-4-8-19-43)44-32-27-42(28-33-44)51-38-52-50-22-12-14-24-56(50)64-60(52)58-57-47-20-10-9-17-41(47)29-36-55(57)63(59(51)58)45-30-25-40(26-31-45)39-15-5-3-6-16-39;1-61(2)52-23-13-11-21-48(52)49-35-34-46(37-53(49)61)62(44-30-25-41(26-31-44)39-15-5-3-6-16-39)55-38-51-50-22-12-14-24-56(50)64-60(51)58-57-47-20-10-9-19-43(47)29-36-54(57)63(59(55)58)45-32-27-42(28-33-45)40-17-7-4-8-18-40;1-3-13-33(14-4-1)34-23-27-38(28-24-34)54-47-30-25-35-15-7-8-18-39(35)49(47)50-51(54)42(32-44-41-20-10-12-22-48(41)55-52(44)50)36-26-29-46-43(31-36)40-19-9-11-21-45(40)53(46)37-16-5-2-6-17-37/h2*3-38H,1-2H3;1-32H.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene?
N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene has a molecular weight of 2338.88 g/mol, XLogP of 48.16, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N,12-bis(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-amine;9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl]phenyl]fluoren-2-amine;14-(9-phenylcarbazol-3-yl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene is sourced from PubChem (CID 160737128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).