3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

C45H31NO — CID 163417875

IUPAC3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c3oc3ccccc34)cc21
InChIInChI=1S/C45H31NO/c1-45(2)39-17-9-6-14-32(39)33-22-20-29(27-40(33)45)36-25-30(26-38-35-16-8-11-19-43(35)47-44(36)38)28-21-23-42-37(24-28)34-15-7-10-18-41(34)46(42)31-12-4-3-5-13-31/h3-27H,1-2H3
InChIKeyAFYYXNUOEDCLEF-UHFFFAOYSA-N
MW601.75 g/mol
LogP12.32
Rot. Bonds3

About 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 163417875) has the molecular formula C45H31NO and a molecular weight of 601.75 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID163417875
Molecular FormulaC45H31NO
Molecular Weight601.75 g/mol
Exact Mass601.24
IUPAC Name3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c3oc3ccccc34)cc21
InChIInChI=1S/C45H31NO/c1-45(2)39-17-9-6-14-32(39)33-22-20-29(27-40(33)45)36-25-30(26-38-35-16-8-11-19-43(35)47-44(36)38)28-21-23-42-37(24-28)34-15-7-10-18-41(34)46(42)31-12-4-3-5-13-31/h3-27H,1-2H3
InChIKeyAFYYXNUOEDCLEF-UHFFFAOYSA-N
XLogP12.32
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
7-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 157365296
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 158985541
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140919383
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (CID 163417875) is 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c3oc3ccccc34)cc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is AFYYXNUOEDCLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO/c1-45(2)39-17-9-6-14-32(39)33-22-20-29(27-40(33)45)36-25-30(26-38-35-16-8-11-19-43(35)47-44(36)38)28-21-23-42-37(24-28)34-15-7-10-18-41(34)46(42)31-12-4-3-5-13-31/h3-27H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 601.75 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 163417875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).