N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine

C60H44N2O — CID 163865645

IUPACN-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(c6ccc7c(c6n5-c5ccccc5)C(C)(C)c5ccccc5-7)c34)cc21
InChIInChI=1S/C60H44N2O/c1-59(2)49-21-13-11-19-43(49)45-29-27-41(35-51(45)59)61(40-25-23-38(24-26-40)37-15-7-5-8-16-37)42-28-30-47-54(36-42)63-53-34-33-52-55(56(47)53)48-32-31-46-44-20-12-14-22-50(44)60(3,4)57(46)58(48)62(52)39-17-9-6-10-18-39/h5-36H,1-4H3
InChIKeyPGJKCDSYMRANPR-UHFFFAOYSA-N
MW809.03 g/mol
LogP16.43
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine

N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine (PubChem CID 163865645) has the molecular formula C60H44N2O and a molecular weight of 809.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine
PubChem CID163865645
Molecular FormulaC60H44N2O
Molecular Weight809.03 g/mol
Exact Mass808.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(c6ccc7c(c6n5-c5ccccc5)C(C)(C)c5ccccc5-7)c34)cc21
InChIInChI=1S/C60H44N2O/c1-59(2)49-21-13-11-19-43(49)45-29-27-41(35-51(45)59)61(40-25-23-38(24-26-40)37-15-7-5-8-16-37)42-28-30-47-54(36-42)63-53-34-33-52-55(56(47)53)48-32-31-46-44-20-12-14-22-50(44)60(3,4)57(46)58(48)62(52)39-17-9-6-10-18-39/h5-36H,1-4H3
InChIKeyPGJKCDSYMRANPR-UHFFFAOYSA-N
XLogP16.43
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.03
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-15-phenyl-N-(4-phenylphenyl)-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18(23),19,21,26-dodecaen-21-amine
CID 163659315
9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405465
15-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-18,18-dimethyl-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 163892460
9,9-dimethyl-N-[4-(25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-26-yl)phenyl]-N-phenylfluoren-2-amine
CID 163811679
9,9-dimethyl-N-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 168807283
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315
N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 147987572
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405433

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine (CID 163865645) is N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3ccc5c(c6ccc7c(c6n5-c5ccccc5)C(C)(C)c5ccccc5-7)c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine?
The InChIKey is PGJKCDSYMRANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2O/c1-59(2)49-21-13-11-19-43(49)45-29-27-41(35-51(45)59)61(40-25-23-38(24-26-40)37-15-7-5-8-16-37)42-28-30-47-54(36-42)63-53-34-33-52-55(56(47)53)48-32-31-46-44-20-12-14-22-50(44)60(3,4)57(46)58(48)62(52)39-17-9-6-10-18-39/h5-36H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine?
N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine has a molecular weight of 809.03 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-15-phenyl-N-(4-phenylphenyl)-10-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),19,21,23,26-dodecaen-7-amine is sourced from PubChem (CID 163865645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).