2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole

C56H42N2O — CID 121262423

IUPAC2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole
SMILESCC1c2c(c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc3n2-c2ccccc2)C=CC1c1cccc2c1OC1(C)C=CC=CC21
InChIInChI=1S/C56H42N2O/c1-36-43(46-22-14-23-47-50-24-11-12-32-56(50,2)59-55(46)47)28-29-45-49-35-40(27-31-53(49)58(54(36)45)42-19-7-4-8-20-42)38-16-13-15-37(33-38)39-26-30-52-48(34-39)44-21-9-10-25-51(44)57(52)41-17-5-3-6-18-41/h3-36,43,50H,1-2H3
InChIKeyQUSYTZNJFUYBEP-UHFFFAOYSA-N
MW758.97 g/mol
LogP14.34
Rot. Bonds5

About 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole

2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole (PubChem CID 121262423) has the molecular formula C56H42N2O and a molecular weight of 758.97 g/mol. Its IUPAC name is 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole
PubChem CID121262423
Molecular FormulaC56H42N2O
Molecular Weight758.97 g/mol
Exact Mass758.33
IUPAC Name2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole
SMILESCC1c2c(c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc3n2-c2ccccc2)C=CC1c1cccc2c1OC1(C)C=CC=CC21
InChIInChI=1S/C56H42N2O/c1-36-43(46-22-14-23-47-50-24-11-12-32-56(50,2)59-55(46)47)28-29-45-49-35-40(27-31-53(49)58(54(36)45)42-19-7-4-8-20-42)38-16-13-15-37(33-38)39-26-30-52-48(34-39)44-21-9-10-25-51(44)57(52)41-17-5-3-6-18-41/h3-36,43,50H,1-2H3
InChIKeyQUSYTZNJFUYBEP-UHFFFAOYSA-N
XLogP14.34
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(4a-methyl-9bH-dibenzofuran-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163455358
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
CID 147834025
(2R)-1,2-dimethyl-9-phenyl-1,2-dihydrocarbazole
CID 70929960
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
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-[3-[3-[5-[3-[8a-methyl-9-(2-phenylphenyl)-4bH-carbazol-3-yl]carbazol-9-yl]naphthalen-1-yl]phenyl]phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 163664569
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
10-fluoranthen-2-yl-25-methyl-15-naphthalen-1-yl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23-undecaene
CID 148950422

Frequently Asked Questions

What is the IUPAC name of 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole?
The IUPAC name of 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole (CID 121262423) is 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole.
What is the SMILES notation for 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole?
The canonical SMILES for 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole is CC1c2c(c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc3n2-c2ccccc2)C=CC1c1cccc2c1OC1(C)C=CC=CC21.
What is the InChIKey of 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole?
The InChIKey is QUSYTZNJFUYBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2O/c1-36-43(46-22-14-23-47-50-24-11-12-32-56(50,2)59-55(46)47)28-29-45-49-35-40(27-31-53(49)58(54(36)45)42-19-7-4-8-20-42)38-16-13-15-37(33-38)39-26-30-52-48(34-39)44-21-9-10-25-51(44)57(52)41-17-5-3-6-18-41/h3-36,43,50H,1-2H3.
What are the key properties of 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole?
2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole has a molecular weight of 758.97 g/mol, XLogP of 14.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5a-methyl-9aH-dibenzofuran-4-yl)-1-methyl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-1,2-dihydrocarbazole is sourced from PubChem (CID 121262423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).