9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole

C54H42N2 — CID 163788880

IUPAC9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole
SMILESCC1C=Cc2c(c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=CC(C)C7C=CC=CC7=C6)cc5)cc4)ccc3n2-c2ccccc2)C1
InChIInChI=1S/C54H42N2/c1-35-16-27-52-48(30-35)50-34-41(24-29-54(50)55(52)44-11-4-3-5-12-44)38-19-17-37(18-20-38)40-23-28-53-49(33-40)47-14-8-9-15-51(47)56(53)45-25-21-39(22-26-45)43-31-36(2)46-13-7-6-10-42(46)32-43/h3-29,31-36,46H,30H2,1-2H3
InChIKeyMUYLVERZHKNKCL-UHFFFAOYSA-N
MW718.94 g/mol
LogP13.97
Rot. Bonds5

About 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole

9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole (PubChem CID 163788880) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole
PubChem CID163788880
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole
SMILESCC1C=Cc2c(c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=CC(C)C7C=CC=CC7=C6)cc5)cc4)ccc3n2-c2ccccc2)C1
InChIInChI=1S/C54H42N2/c1-35-16-27-52-48(30-35)50-34-41(24-29-54(50)55(52)44-11-4-3-5-12-44)38-19-17-37(18-20-38)40-23-28-53-49(33-40)47-14-8-9-15-51(47)56(53)45-25-21-39(22-26-45)43-31-36(2)46-13-7-6-10-42(46)32-43/h3-29,31-36,46H,30H2,1-2H3
InChIKeyMUYLVERZHKNKCL-UHFFFAOYSA-N
XLogP13.97
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
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CID 163834153
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
CID 138548370
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118686849
3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 90261695
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole (CID 163788880) is 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole is CC1C=Cc2c(c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=CC(C)C7C=CC=CC7=C6)cc5)cc4)ccc3n2-c2ccccc2)C1.
What is the InChIKey of 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole?
The InChIKey is MUYLVERZHKNKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-35-16-27-52-48(30-35)50-34-41(24-29-54(50)55(52)44-11-4-3-5-12-44)38-19-17-37(18-20-38)40-23-28-53-49(33-40)47-14-8-9-15-51(47)56(53)45-25-21-39(22-26-45)43-31-36(2)46-13-7-6-10-42(46)32-43/h3-29,31-36,46H,30H2,1-2H3.
What are the key properties of 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole?
9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole has a molecular weight of 718.94 g/mol, XLogP of 13.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 163788880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).