3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole

C46H32N2 — CID 170077644

IUPAC3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole
SMILESC1=C(c2ccccc2)CCC=C1n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc21
InChIInChI=1S/C46H32N2/c1-2-12-31(13-3-1)33-16-10-17-36(28-33)47-43-21-8-6-19-38(43)40-29-34(24-26-45(40)47)35-25-27-46-41(30-35)39-20-7-9-22-44(39)48(46)42-23-11-15-32-14-4-5-18-37(32)42/h1-9,11-15,17-30H,10,16H2
InChIKeyFRNHXHYUPAIGEL-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.43
Rot. Bonds4

About 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole (PubChem CID 170077644) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole.

Molecular Properties

Compound Name3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole
PubChem CID170077644
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole
SMILESC1=C(c2ccccc2)CCC=C1n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc21
InChIInChI=1S/C46H32N2/c1-2-12-31(13-3-1)33-16-10-17-36(28-33)47-43-21-8-6-19-38(43)40-29-34(24-26-45(40)47)35-25-27-46-41(30-35)39-20-7-9-22-44(39)48(46)42-23-11-15-32-14-4-5-18-37(32)42/h1-9,11-15,17-30H,10,16H2
InChIKeyFRNHXHYUPAIGEL-UHFFFAOYSA-N
XLogP12.43
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818
3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole
CID 170567805
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole?
The IUPAC name of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole (CID 170077644) is 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole.
What is the SMILES notation for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole?
The canonical SMILES for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole is C1=C(c2ccccc2)CCC=C1n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc21.
What is the InChIKey of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole?
The InChIKey is FRNHXHYUPAIGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-2-12-31(13-3-1)33-16-10-17-36(28-33)47-43-21-8-6-19-38(43)40-29-34(24-26-45(40)47)35-25-27-46-41(30-35)39-20-7-9-22-44(39)48(46)42-23-11-15-32-14-4-5-18-37(32)42/h1-9,11-15,17-30H,10,16H2.
What are the key properties of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole?
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole has a molecular weight of 612.78 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole is sourced from PubChem (CID 170077644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).