3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole

C47H34N2 — CID 145218205

IUPAC3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
SMILESCC1CC=C(c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C47H34N2/c1-31-22-23-33(28-40(31)35-25-27-46-42(30-35)38-17-7-9-19-44(38)48(46)36-14-3-2-4-15-36)34-24-26-47-41(29-34)39-18-8-10-20-45(39)49(47)43-21-11-13-32-12-5-6-16-37(32)43/h2-21,23-31H,22H2,1H3
InChIKeySHZAKHFOWVXRNA-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.54
Rot. Bonds4

About 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole

3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole (PubChem CID 145218205) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
PubChem CID145218205
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
SMILESCC1CC=C(c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C47H34N2/c1-31-22-23-33(28-40(31)35-25-27-46-42(30-35)38-17-7-9-19-44(38)48(46)36-14-3-2-4-15-36)34-24-26-47-41(29-34)39-18-8-10-20-45(39)49(47)43-21-11-13-32-12-5-6-16-37(32)43/h2-21,23-31H,22H2,1H3
InChIKeySHZAKHFOWVXRNA-UHFFFAOYSA-N
XLogP12.54
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
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
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-(9-naphthalen-1-ylcarbazol-3-yl)-9-(5-phenylcyclohexa-1,5-dien-1-yl)carbazole
CID 170077644
5-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160638054
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole (CID 145218205) is 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole is CC1CC=C(c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)C=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole?
The InChIKey is SHZAKHFOWVXRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-31-22-23-33(28-40(31)35-25-27-46-42(30-35)38-17-7-9-19-44(38)48(46)36-14-3-2-4-15-36)34-24-26-47-41(29-34)39-18-8-10-20-45(39)49(47)43-21-11-13-32-12-5-6-16-37(32)43/h2-21,23-31H,22H2,1H3.
What are the key properties of 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole?
3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole has a molecular weight of 626.80 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 145218205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).