8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole

C48H28N4 — CID 130326643

IUPAC8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(ccnc6n4)-c4ccccc4-5)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C48H28N4/c1-2-11-32(12-3-1)51-43-22-19-31(27-40(43)38-21-18-29-10-4-5-13-33(29)47(38)51)30-20-23-44-39(26-30)36-16-8-9-17-42(36)52(44)45-28-41-35-15-7-6-14-34(35)37-24-25-49-48(50-45)46(37)41/h1-28H
InChIKeyUUVLKOMEBPKJOL-UHFFFAOYSA-N
MW660.78 g/mol
LogP12.29
Rot. Bonds3

About 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole

8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole (PubChem CID 130326643) has the molecular formula C48H28N4 and a molecular weight of 660.78 g/mol. Its IUPAC name is 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
PubChem CID130326643
Molecular FormulaC48H28N4
Molecular Weight660.78 g/mol
Exact Mass660.23
IUPAC Name8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(ccnc6n4)-c4ccccc4-5)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C48H28N4/c1-2-11-32(12-3-1)51-43-22-19-31(27-40(43)38-21-18-29-10-4-5-13-33(29)47(38)51)30-20-23-44-39(26-30)36-16-8-9-17-42(36)52(44)45-28-41-35-15-7-6-14-34(35)37-24-25-49-48(50-45)46(37)41/h1-28H
InChIKeyUUVLKOMEBPKJOL-UHFFFAOYSA-N
XLogP12.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole with MolForge

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Related Compounds

8-[9-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326404
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
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
11-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326454
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
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-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
8-[9-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326359

Frequently Asked Questions

What is the IUPAC name of 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole (CID 130326643) is 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5c6c(ccnc6n4)-c4ccccc4-5)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is UUVLKOMEBPKJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4/c1-2-11-32(12-3-1)51-43-22-19-31(27-40(43)38-21-18-29-10-4-5-13-33(29)47(38)51)30-20-23-44-39(26-30)36-16-8-9-17-42(36)52(44)45-28-41-35-15-7-6-14-34(35)37-24-25-49-48(50-45)46(37)41/h1-28H.
What are the key properties of 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 660.78 g/mol, XLogP of 12.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(4,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130326643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).