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

C49H29N3 — CID 130326764

IUPAC5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ncc5c6c(cccc46)-c4ccccc4-5)cc32)cc1
InChIInChI=1S/C49H29N3/c1-2-13-31(14-3-1)51-44-24-11-9-20-38(44)48-37-19-7-6-17-34(37)40(28-46(48)51)30-25-26-45-41(27-30)35-18-8-10-23-43(35)52(45)49-39-22-12-21-36-32-15-4-5-16-33(32)42(29-50-49)47(36)39/h1-29H
InChIKeyFDZDMLGOMJYTBU-UHFFFAOYSA-N
MW659.79 g/mol
LogP12.90
Rot. Bonds3

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

5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole (PubChem CID 130326764) has the molecular formula C49H29N3 and a molecular weight of 659.79 g/mol. Its IUPAC name is 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
PubChem CID130326764
Molecular FormulaC49H29N3
Molecular Weight659.79 g/mol
Exact Mass659.24
IUPAC Name5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ncc5c6c(cccc46)-c4ccccc4-5)cc32)cc1
InChIInChI=1S/C49H29N3/c1-2-13-31(14-3-1)51-44-24-11-9-20-38(44)48-37-19-7-6-17-34(37)40(28-46(48)51)30-25-26-45-41(27-30)35-18-8-10-23-43(35)52(45)49-39-22-12-21-36-32-15-4-5-16-33(32)42(29-50-49)47(36)39/h1-29H
InChIKeyFDZDMLGOMJYTBU-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 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole with MolForge

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Related Compounds

4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 145167603
2-[9-(3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-4-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326154
4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325890
9-phenyl-5-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301140
4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326137
5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326772
4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325696
4-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325879
9-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300978
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325714
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651

Frequently Asked Questions

What is the IUPAC name of 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?
The IUPAC name of 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole (CID 130326764) is 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?
The canonical SMILES for 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole is c1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ncc5c6c(cccc46)-c4ccccc4-5)cc32)cc1.
What is the InChIKey of 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?
The InChIKey is FDZDMLGOMJYTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3/c1-2-13-31(14-3-1)51-44-24-11-9-20-38(44)48-37-19-7-6-17-34(37)40(28-46(48)51)30-25-26-45-41(27-30)35-18-8-10-23-43(35)52(45)49-39-22-12-21-36-32-15-4-5-16-33(32)42(29-50-49)47(36)39/h1-29H.
What are the key properties of 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?
5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]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 5-[9-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 130326764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).