9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine

C55H40N2 — CID 155791285

IUPAC9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2c3ccccc3c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2n1-c1ccccc1
InChIInChI=1S/C55H40N2/c1-55(2)46-28-16-14-27-45(46)52-47(55)34-35-49-54(52)53-44-26-13-12-25-43(44)50(36-51(53)57(49)40-22-10-5-11-23-40)56(41-32-30-38(31-33-41)37-18-6-3-7-19-37)48-29-17-15-24-42(48)39-20-8-4-9-21-39/h3-36H,1-2H3
InChIKeyMQYQENYJYCLKPD-UHFFFAOYSA-N
MW728.94 g/mol
LogP15.05
Rot. Bonds6

About 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine

9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine (PubChem CID 155791285) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine.

Molecular Properties

Compound Name9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
PubChem CID155791285
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2c3ccccc3c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2n1-c1ccccc1
InChIInChI=1S/C55H40N2/c1-55(2)46-28-16-14-27-45(46)52-47(55)34-35-49-54(52)53-44-26-13-12-25-43(44)50(36-51(53)57(49)40-22-10-5-11-23-40)56(41-32-30-38(31-33-41)37-18-6-3-7-19-37)48-29-17-15-24-42(48)39-20-8-4-9-21-39/h3-36H,1-2H3
InChIKeyMQYQENYJYCLKPD-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-[4-[9,9-dimethyl-4-(9-phenylcarbazol-3-yl)fluoren-1-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118193688
9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 158812086
7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[c]carbazol-5-amine
CID 145362464
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
CID 167527111
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-12-phenyl-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385903
N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 121358635
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
16,16-dimethyl-N,12-diphenyl-N-[4-(4-phenylphenyl)phenyl]-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine;prop-1-ene
CID 142509983
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 170142818

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine?
The IUPAC name of 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine (CID 155791285) is 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine.
What is the SMILES notation for 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine?
The canonical SMILES for 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine is CC1(C)c2ccccc2-c2c1ccc1c2c2c3ccccc3c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2n1-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine?
The InChIKey is MQYQENYJYCLKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-55(2)46-28-16-14-27-45(46)52-47(55)34-35-49-54(52)53-44-26-13-12-25-43(44)50(36-51(53)57(49)40-22-10-5-11-23-40)56(41-32-30-38(31-33-41)37-18-6-3-7-19-37)48-29-17-15-24-42(48)39-20-8-4-9-21-39/h3-36H,1-2H3.
What are the key properties of 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine?
9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine has a molecular weight of 728.94 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine is sourced from PubChem (CID 155791285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).