8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole

C49H29N3 — CID 130326284

IUPAC8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cncc6c4)-c4ccccc4-5)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C49H29N3/c1-2-11-34(12-3-1)52-47-23-20-32(26-42(47)40-21-18-30-10-4-5-13-36(30)49(40)52)31-19-22-46-41(25-31)39-16-8-9-17-45(39)51(46)35-24-33-28-50-29-44-38-15-7-6-14-37(38)43(27-35)48(33)44/h1-29H
InChIKeyHTDQHFNSSUUQOO-UHFFFAOYSA-N
MW659.79 g/mol
LogP12.90
Rot. Bonds3

About 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole

8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole (PubChem CID 130326284) has the molecular formula C49H29N3 and a molecular weight of 659.79 g/mol. Its IUPAC name is 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
PubChem CID130326284
Molecular FormulaC49H29N3
Molecular Weight659.79 g/mol
Exact Mass659.24
IUPAC Name8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cncc6c4)-c4ccccc4-5)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C49H29N3/c1-2-11-34(12-3-1)52-47-23-20-32(26-42(47)40-21-18-30-10-4-5-13-36(30)49(40)52)31-19-22-46-41(25-31)39-16-8-9-17-45(39)51(46)35-24-33-28-50-29-44-38-15-7-6-14-37(38)43(27-35)48(33)44/h1-29H
InChIKeyHTDQHFNSSUUQOO-UHFFFAOYSA-N
XLogP12.90
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.79
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole with MolForge

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Related Compounds

7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326285
11-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326452
11-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326227
7-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326274
8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-14-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326655
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
5-[4-[4-[8-[9-(3,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl)carbazol-3-yl]benzo[a]carbazol-11-yl]phenyl]-3,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-12-yl]-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130331128
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
CID 130294967
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540

Frequently Asked Questions

What is the IUPAC name of 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole (CID 130326284) is 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(cncc6c4)-c4ccccc4-5)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is HTDQHFNSSUUQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3/c1-2-11-34(12-3-1)52-47-23-20-32(26-42(47)40-21-18-30-10-4-5-13-36(30)49(40)52)31-19-22-46-41(25-31)39-16-8-9-17-45(39)51(46)35-24-33-28-50-29-44-38-15-7-6-14-37(38)43(27-35)48(33)44/h1-29H.
What are the key properties of 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 659.79 g/mol, XLogP of 12.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-7-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130326284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).