19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine

C55H40N4 — CID 123596936

IUPAC19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine
SMILESCC1(C)c2ccccc2-n2c(-c3ccccc3)c3c4cc(N(c5ccccc5)c5ccccc5)ccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3c21
InChIInChI=1S/C55H40N4/c1-55(2)46-28-16-18-30-50(46)59-52(37-19-7-3-8-20-37)51-45-36-41(56(38-21-9-4-10-22-38)39-23-11-5-12-24-39)31-34-49(45)58(53(51)54(55)59)42-32-33-48-44(35-42)43-27-15-17-29-47(43)57(48)40-25-13-6-14-26-40/h3-36H,1-2H3
InChIKeyRYSQRGASXYVYSM-UHFFFAOYSA-N
MW756.95 g/mol
LogP14.45
Rot. Bonds6

About 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine

19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine (PubChem CID 123596936) has the molecular formula C55H40N4 and a molecular weight of 756.95 g/mol. Its IUPAC name is 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine.

Molecular Properties

Compound Name19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine
PubChem CID123596936
Molecular FormulaC55H40N4
Molecular Weight756.95 g/mol
Exact Mass756.33
IUPAC Name19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine
SMILESCC1(C)c2ccccc2-n2c(-c3ccccc3)c3c4cc(N(c5ccccc5)c5ccccc5)ccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3c21
InChIInChI=1S/C55H40N4/c1-55(2)46-28-16-18-30-50(46)59-52(37-19-7-3-8-20-37)51-45-36-41(56(38-21-9-4-10-22-38)39-23-11-5-12-24-39)31-34-49(45)58(53(51)54(55)59)42-32-33-48-44(35-42)43-27-15-17-29-47(43)57(48)40-25-13-6-14-26-40/h3-36H,1-2H3
InChIKeyRYSQRGASXYVYSM-UHFFFAOYSA-N
XLogP14.45
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine with MolForge

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
7-(9,9-dimethyl-2,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)-N,N,9-triphenylcarbazol-2-amine
CID 118527696
13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011

Frequently Asked Questions

What is the IUPAC name of 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine?
The IUPAC name of 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine (CID 123596936) is 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine.
What is the SMILES notation for 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine?
The canonical SMILES for 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine is CC1(C)c2ccccc2-n2c(-c3ccccc3)c3c4cc(N(c5ccccc5)c5ccccc5)ccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3c21.
What is the InChIKey of 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine?
The InChIKey is RYSQRGASXYVYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4/c1-55(2)46-28-16-18-30-50(46)59-52(37-19-7-3-8-20-37)51-45-36-41(56(38-21-9-4-10-22-38)39-23-11-5-12-24-39)31-34-49(45)58(53(51)54(55)59)42-32-33-48-44(35-42)43-27-15-17-29-47(43)57(48)40-25-13-6-14-26-40/h3-36H,1-2H3.
What are the key properties of 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine?
19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine has a molecular weight of 756.95 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19,19-dimethyl-N,N,11-triphenyl-3-(9-phenylcarbazol-3-yl)-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4(9),5,7,10,13,15,17-octaen-7-amine is sourced from PubChem (CID 123596936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).