10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole

C46H33N3 — CID 170211356

IUPAC10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole
SMILESCCC1=C(c2ccccc2)C(n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)=Nc2ccccc2C1
InChIInChI=1S/C46H33N3/c1-2-30-28-33-17-7-11-21-39(33)47-46(44(30)32-15-4-3-5-16-32)49-42-27-25-34(29-38(42)45-35-18-8-6-14-31(35)24-26-43(45)49)48-40-22-12-9-19-36(40)37-20-10-13-23-41(37)48/h3-27,29H,2,28H2,1H3
InChIKeyHWZWMAUJQSHWRV-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.04
Rot. Bonds3

About 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole

10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole (PubChem CID 170211356) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole
PubChem CID170211356
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole
SMILESCCC1=C(c2ccccc2)C(n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)=Nc2ccccc2C1
InChIInChI=1S/C46H33N3/c1-2-30-28-33-17-7-11-21-39(33)47-46(44(30)32-15-4-3-5-16-32)49-42-27-25-34(29-38(42)45-35-18-8-6-14-31(35)24-26-43(45)49)48-40-22-12-9-19-36(40)37-20-10-13-23-41(37)48/h3-27,29H,2,28H2,1H3
InChIKeyHWZWMAUJQSHWRV-UHFFFAOYSA-N
XLogP12.04
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole
CID 166722837
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
12-phenyl-16-(3-phenylphenyl)-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 154589180
16-naphthalen-2-yl-12-(3-phenylphenyl)-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 147057868
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510
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
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)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 134222275
12-phenyl-16-[2-phenyl-3-(4-phenylphenyl)quinoxalin-6-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 154952513
7-(2,6-diphenyl-4-pyridinyl)benzo[c]carbazole
CID 70836984
21,21,24,24-tetramethyl-14-phenyl-28-(9-phenylcarbazol-3-yl)-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177086735
16-(1,2-diphenylnaphtho[1,2-e]benzimidazol-10-yl)-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 134365246
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole?
The IUPAC name of 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole (CID 170211356) is 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole?
The canonical SMILES for 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole is CCC1=C(c2ccccc2)C(n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4ccccc4ccc32)=Nc2ccccc2C1.
What is the InChIKey of 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole?
The InChIKey is HWZWMAUJQSHWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-2-30-28-33-17-7-11-21-39(33)47-46(44(30)32-15-4-3-5-16-32)49-42-27-25-34(29-38(42)45-35-18-8-6-14-31(35)24-26-43(45)49)48-40-22-12-9-19-36(40)37-20-10-13-23-41(37)48/h3-27,29H,2,28H2,1H3.
What are the key properties of 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole?
10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole has a molecular weight of 627.79 g/mol, XLogP of 12.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-7-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 170211356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).