3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C55H42N2 — CID 170369165

IUPAC3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC12C=CC=CC1N(c1ccc(-c3ccc(-c4ccccc4)cc3)cc1)C1=C2C=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C55H42N2/c1-55-35-11-10-18-54(55)57(47-31-25-43(26-32-47)41-21-19-40(20-22-41)38-12-4-2-5-13-38)53-34-28-45(37-50(53)55)44-27-33-52-49(36-44)48-16-8-9-17-51(48)56(52)46-29-23-42(24-30-46)39-14-6-3-7-15-39/h2-27,29-33,35-37,54H,28,34H2,1H3
InChIKeyODLDBXQFUBUTHT-UHFFFAOYSA-N
MW730.96 g/mol
LogP14.24
Rot. Bonds6

About 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 170369165) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID170369165
Molecular FormulaC55H42N2
Molecular Weight730.96 g/mol
Exact Mass730.33
IUPAC Name3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC12C=CC=CC1N(c1ccc(-c3ccc(-c4ccccc4)cc3)cc1)C1=C2C=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C55H42N2/c1-55-35-11-10-18-54(55)57(47-31-25-43(26-32-47)41-21-19-40(20-22-41)38-12-4-2-5-13-38)53-34-28-45(37-50(53)55)44-27-33-52-49(36-44)48-16-8-9-17-51(48)56(52)46-29-23-42(24-30-46)39-14-6-3-7-15-39/h2-27,29-33,35-37,54H,28,34H2,1H3
InChIKeyODLDBXQFUBUTHT-UHFFFAOYSA-N
XLogP14.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 163828573
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
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
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
9-[3-(4b-methyl-8aH-carbazol-9-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 165037523
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 170369165) is 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole is CC12C=CC=CC1N(c1ccc(-c3ccc(-c4ccccc4)cc3)cc1)C1=C2C=C(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is ODLDBXQFUBUTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-55-35-11-10-18-54(55)57(47-31-25-43(26-32-47)41-21-19-40(20-22-41)38-12-4-2-5-13-38)53-34-28-45(37-50(53)55)44-27-33-52-49(36-44)48-16-8-9-17-51(48)56(52)46-29-23-42(24-30-46)39-14-6-3-7-15-39/h2-27,29-33,35-37,54H,28,34H2,1H3.
What are the key properties of 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 730.96 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4b-methyl-9-[4-(4-phenylphenyl)phenyl]-2,8a-dihydro-1H-carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 170369165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).