3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C43H26N2 — CID 122434744

IUPAC3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6cc7cccc8c7c(n6)-c6ccccc6-8)ccc5c4)ccc32)cc1
InChIInChI=1S/C43H26N2/c1-2-10-33(11-3-1)45-40-16-7-6-13-35(40)38-25-30(21-22-41(38)45)28-17-18-29-24-31(20-19-27(29)23-28)39-26-32-9-8-15-36-34-12-4-5-14-37(34)43(44-39)42(32)36/h1-26H
InChIKeyAITBXBVVOIVXQW-UHFFFAOYSA-N
MW570.70 g/mol
LogP11.47
Rot. Bonds3

About 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 122434744) has the molecular formula C43H26N2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID122434744
Molecular FormulaC43H26N2
Molecular Weight570.70 g/mol
Exact Mass570.21
IUPAC Name3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6cc7cccc8c7c(n6)-c6ccccc6-8)ccc5c4)ccc32)cc1
InChIInChI=1S/C43H26N2/c1-2-10-33(11-3-1)45-40-16-7-6-13-35(40)38-25-30(21-22-41(38)45)28-17-18-29-24-31(20-19-27(29)23-28)39-26-32-9-8-15-36-34-12-4-5-14-37(34)43(44-39)42(32)36/h1-26H
InChIKeyAITBXBVVOIVXQW-UHFFFAOYSA-N
XLogP11.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene with MolForge

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Related Compounds

7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130325764
3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325999
3-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325759
3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325755
3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326007
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
2-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130325936
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831
3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241512
2-[9-(2,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130326094
13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326472
3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434535

Frequently Asked Questions

What is the IUPAC name of 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 122434744) is 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6cc7cccc8c7c(n6)-c6ccccc6-8)ccc5c4)ccc32)cc1.
What is the InChIKey of 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is AITBXBVVOIVXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2/c1-2-10-33(11-3-1)45-40-16-7-6-13-35(40)38-25-30(21-22-41(38)45)28-17-18-29-24-31(20-19-27(29)23-28)39-26-32-9-8-15-36-34-12-4-5-14-37(34)43(44-39)42(32)36/h1-26H.
What are the key properties of 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?
3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 570.70 g/mol, XLogP of 11.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 122434744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).