10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole

C60H41N3 — CID 166722837

IUPAC10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole
SMILESCCC1=C(c2cccc(-c3cccc4ccccc34)c2)C(n2c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3c3c4ccccc4ccc32)=Nc2ccccc2C1
InChIInChI=1S/C60H41N3/c1-2-38-35-43-18-6-11-27-52(43)61-60(57(38)44-21-13-20-42(36-44)47-26-14-19-39-15-3-7-22-46(39)47)63-54-34-31-45(37-51(54)59-49-24-9-5-17-41(49)30-33-56(59)63)62-53-28-12-10-25-50(53)58-48-23-8-4-16-40(48)29-32-55(58)62/h3-34,36-37H,2,35H2,1H3
InChIKeyYBQBKDBLGAWORA-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.02
Rot. Bonds4

About 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole

10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole (PubChem CID 166722837) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole
PubChem CID166722837
Molecular FormulaC60H41N3
Molecular Weight804.01 g/mol
Exact Mass803.33
IUPAC Name10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole
SMILESCCC1=C(c2cccc(-c3cccc4ccccc34)c2)C(n2c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3c3c4ccccc4ccc32)=Nc2ccccc2C1
InChIInChI=1S/C60H41N3/c1-2-38-35-43-18-6-11-27-52(43)61-60(57(38)44-21-13-20-42(36-44)47-26-14-19-39-15-3-7-22-46(39)47)63-54-34-31-45(37-51(54)59-49-24-9-5-17-41(49)30-33-56(59)63)62-53-28-12-10-25-50(53)58-48-23-8-4-16-40(48)29-32-55(58)62/h3-34,36-37H,2,35H2,1H3
InChIKeyYBQBKDBLGAWORA-UHFFFAOYSA-N
XLogP16.02
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole
CID 170211356
16-(3-naphthalen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 174232921
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
16-(4-naphthalen-1-ylphenyl)-12-(9-phenylcarbazol-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 164761193
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461
7-[4-(4-methylphenyl)phenyl]-10-naphthalen-1-ylbenzo[c]carbazole
CID 123149938
10-carbazol-9-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-carbazol-9-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163468032
9-[5-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155240951
7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
CID 139298795
7-naphthalen-2-yl-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351413
9-[3,5-bis(2-naphthalen-1-ylcarbazol-9-yl)phenyl]-2-naphthalen-1-ylcarbazole;5-methyl-9-[3-[5-methyl-3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-(2-methylphenyl)carbazole;3-(2-methylphenyl)-9-[3-[3-(2-methylphenyl)carbazol-9-yl]phenyl]carbazole;9-naphthalen-1-yl-7-[3-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]benzo[c]carbazole
CID 158136408
7-(9-fluoranthen-2-ylcarbazol-3-yl)benzo[c]carbazole
CID 130295338

Frequently Asked Questions

What is the IUPAC name of 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole?
The IUPAC name of 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole (CID 166722837) is 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole?
The canonical SMILES for 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole is CCC1=C(c2cccc(-c3cccc4ccccc34)c2)C(n2c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3c3c4ccccc4ccc32)=Nc2ccccc2C1.
What is the InChIKey of 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole?
The InChIKey is YBQBKDBLGAWORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3/c1-2-38-35-43-18-6-11-27-52(43)61-60(57(38)44-21-13-20-42(36-44)47-26-14-19-39-15-3-7-22-46(39)47)63-54-34-31-45(37-51(54)59-49-24-9-5-17-41(49)30-33-56(59)63)62-53-28-12-10-25-50(53)58-48-23-8-4-16-40(48)29-32-55(58)62/h3-34,36-37H,2,35H2,1H3.
What are the key properties of 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole?
10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole has a molecular weight of 804.01 g/mol, XLogP of 16.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 166722837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).