4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C51H30N2S — CID 130325705

IUPAC4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ncc6c7c(cccc57)-c5ccccc5-6)c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C51H30N2S/c1-2-12-36(13-3-1)53-46-23-20-32(27-42(46)43-28-33(21-24-47(43)53)34-22-25-49-44(29-34)39-16-6-7-19-48(39)54-49)31-10-8-11-35(26-31)51-41-18-9-17-40-37-14-4-5-15-38(37)45(30-52-51)50(40)41/h1-30H
InChIKeyCVLUCGVHKYRHKD-UHFFFAOYSA-N
MW702.88 g/mol
LogP14.35
Rot. Bonds4

About 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 130325705) has the molecular formula C51H30N2S and a molecular weight of 702.88 g/mol. Its IUPAC name is 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID130325705
Molecular FormulaC51H30N2S
Molecular Weight702.88 g/mol
Exact Mass702.21
IUPAC Name4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ncc6c7c(cccc57)-c5ccccc5-6)c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C51H30N2S/c1-2-12-36(13-3-1)53-46-23-20-32(27-42(46)43-28-33(21-24-47(43)53)34-22-25-49-44(29-34)39-16-6-7-19-48(39)54-49)31-10-8-11-35(26-31)51-41-18-9-17-40-37-14-4-5-15-38(37)45(30-52-51)50(40)41/h1-30H
InChIKeyCVLUCGVHKYRHKD-UHFFFAOYSA-N
XLogP14.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.88
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

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
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
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
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325724
4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326171
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
4-[6-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325889

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 130325705) is 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-n2c3ccc(-c4cccc(-c5ncc6c7c(cccc57)-c5ccccc5-6)c4)cc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is CVLUCGVHKYRHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2S/c1-2-12-36(13-3-1)53-46-23-20-32(27-42(46)43-28-33(21-24-47(43)53)34-22-25-49-44(29-34)39-16-6-7-19-48(39)54-49)31-10-8-11-35(26-31)51-41-18-9-17-40-37-14-4-5-15-38(37)45(30-52-51)50(40)41/h1-30H.
What are the key properties of 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 702.88 g/mol, XLogP of 14.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 130325705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).