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

C49H36N4 — CID 118527696

IUPAC7-(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
SMILESCC1(C)c2ccccc2-n2c1cc1c3ccccc3n(-c3ccc4c5ccc(N(c6ccccc6)c6ccccc6)cc5n(-c5ccccc5)c4c3)c12
InChIInChI=1S/C49H36N4/c1-49(2)42-23-13-15-25-44(42)53-47(49)32-41-38-22-12-14-24-43(38)52(48(41)53)37-27-29-40-39-28-26-36(30-45(39)51(46(40)31-37)35-20-10-5-11-21-35)50(33-16-6-3-7-17-33)34-18-8-4-9-19-34/h3-32H,1-2H3
InChIKeyZRTVXBCFAQGVMU-UHFFFAOYSA-N
MW680.86 g/mol
LogP12.78
Rot. Bonds5

About 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

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 (PubChem CID 118527696) has the molecular formula C49H36N4 and a molecular weight of 680.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID118527696
Molecular FormulaC49H36N4
Molecular Weight680.86 g/mol
Exact Mass680.29
IUPAC Name7-(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
SMILESCC1(C)c2ccccc2-n2c1cc1c3ccccc3n(-c3ccc4c5ccc(N(c6ccccc6)c6ccccc6)cc5n(-c5ccccc5)c4c3)c12
InChIInChI=1S/C49H36N4/c1-49(2)42-23-13-15-25-44(42)53-47(49)32-41-38-22-12-14-24-43(38)52(48(41)53)37-27-29-40-39-28-26-36(30-45(39)51(46(40)31-37)35-20-10-5-11-21-35)50(33-16-6-3-7-17-33)34-18-8-4-9-19-34/h3-32H,1-2H3
InChIKeyZRTVXBCFAQGVMU-UHFFFAOYSA-N
XLogP12.78
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.86
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine
CID 90051042
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
2-carbazol-9-yl-9-[7-(2-carbazol-9-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]carbazole;2-carbazol-9-yl-9-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenylcarbazole;9-[9,9-dimethyl-7-[2-(N-phenylanilino)carbazol-9-yl]fluoren-2-yl]-N,N-diphenylcarbazol-2-amine;9-[9-[4-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-3,6-diphenylcarbazole
CID 158084522
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
7-carbazol-9-yl-9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 71038403
2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(2-carbazol-9-ylcarbazol-9-yl)-N-phenyl-N-(4-phenylphenyl)aniline;2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylcarbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine;N-phenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158775841
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
7-carbazol-9-yl-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 89213014

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-n2c1cc1c3ccccc3n(-c3ccc4c5ccc(N(c6ccccc6)c6ccccc6)cc5n(-c5ccccc5)c4c3)c12.
What is the InChIKey of 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?
The InChIKey is ZRTVXBCFAQGVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N4/c1-49(2)42-23-13-15-25-44(42)53-47(49)32-41-38-22-12-14-24-43(38)52(48(41)53)37-27-29-40-39-28-26-36(30-45(39)51(46(40)31-37)35-20-10-5-11-21-35)50(33-16-6-3-7-17-33)34-18-8-4-9-19-34/h3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 680.86 g/mol, XLogP of 12.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118527696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).