9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole

C47H38N2 — CID 158817301

IUPAC9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole
SMILESCC1C=C(c2ccc3c(c2)c2c(n3C)C=CCC2)c2cc3c(-c4ccc5c(c4)c4ccccc4n5C)cccc3c(-c3ccccc3)c2C1
InChIInChI=1S/C47H38N2/c1-29-24-37(32-21-23-46-41(27-32)35-15-8-10-19-44(35)49(46)3)39-28-38-33(16-11-17-36(38)47(42(39)25-29)30-12-5-4-6-13-30)31-20-22-45-40(26-31)34-14-7-9-18-43(34)48(45)2/h4-7,9-14,16-24,26-29H,8,15,25H2,1-3H3
InChIKeyIVKSIMIXVNAJHI-UHFFFAOYSA-N
MW630.84 g/mol
LogP11.89
Rot. Bonds3

About 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole

9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole (PubChem CID 158817301) has the molecular formula C47H38N2 and a molecular weight of 630.84 g/mol. Its IUPAC name is 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole
PubChem CID158817301
Molecular FormulaC47H38N2
Molecular Weight630.84 g/mol
Exact Mass630.30
IUPAC Name9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole
SMILESCC1C=C(c2ccc3c(c2)c2c(n3C)C=CCC2)c2cc3c(-c4ccc5c(c4)c4ccccc4n5C)cccc3c(-c3ccccc3)c2C1
InChIInChI=1S/C47H38N2/c1-29-24-37(32-21-23-46-41(27-32)35-15-8-10-19-44(35)49(46)3)39-28-38-33(16-11-17-36(38)47(42(39)25-29)30-12-5-4-6-13-30)31-20-22-45-40(26-31)34-14-7-9-18-43(34)48(45)2/h4-7,9-14,16-24,26-29H,8,15,25H2,1-3H3
InChIKeyIVKSIMIXVNAJHI-UHFFFAOYSA-N
XLogP11.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-dimethyl-N-(4-phenylphenyl)-5,6-dihydrocarbazol-3-amine
CID 149474002
11,12-dimethyl-7,8-dihydroindolo[2,3-a]carbazole
CID 163716451
6,9-dimethyl-3,4-dihydrocarbazole
CID 134550715
9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333918
9-methyl-3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)carbazole
CID 142540849
9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
CID 71135736
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 163750237
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 146334259
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole?
The IUPAC name of 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole (CID 158817301) is 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole?
The canonical SMILES for 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole is CC1C=C(c2ccc3c(c2)c2c(n3C)C=CCC2)c2cc3c(-c4ccc5c(c4)c4ccccc4n5C)cccc3c(-c3ccccc3)c2C1.
What is the InChIKey of 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole?
The InChIKey is IVKSIMIXVNAJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2/c1-29-24-37(32-21-23-46-41(27-32)35-15-8-10-19-44(35)49(46)3)39-28-38-33(16-11-17-36(38)47(42(39)25-29)30-12-5-4-6-13-30)31-20-22-45-40(26-31)34-14-7-9-18-43(34)48(45)2/h4-7,9-14,16-24,26-29H,8,15,25H2,1-3H3.
What are the key properties of 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole?
9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole has a molecular weight of 630.84 g/mol, XLogP of 11.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[6-methyl-8-(9-methyl-5,6-dihydrocarbazol-3-yl)-10-phenyl-5,6-dihydroanthracen-1-yl]carbazole is sourced from PubChem (CID 158817301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).