3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole

C45H31NO — CID 118099089

IUPAC3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C45H31NO/c1-45(2)38-27-31(17-20-33(38)34-21-24-42-43(44(34)45)35-15-9-10-16-41(35)47-42)30-19-23-40-37(26-30)36-25-29(28-11-5-3-6-12-28)18-22-39(36)46(40)32-13-7-4-8-14-32/h3-27H,1-2H3
InChIKeyKVWFEWADAVTCIZ-UHFFFAOYSA-N
MW601.75 g/mol
LogP12.32
Rot. Bonds3

About 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole

3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole (PubChem CID 118099089) has the molecular formula C45H31NO and a molecular weight of 601.75 g/mol. Its IUPAC name is 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
PubChem CID118099089
Molecular FormulaC45H31NO
Molecular Weight601.75 g/mol
Exact Mass601.24
IUPAC Name3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C45H31NO/c1-45(2)38-27-31(17-20-33(38)34-21-24-42-43(44(34)45)35-15-9-10-16-41(35)47-42)30-19-23-40-37(26-30)36-25-29(28-11-5-3-6-12-28)18-22-39(36)46(40)32-13-7-4-8-14-32/h3-27H,1-2H3
InChIKeyKVWFEWADAVTCIZ-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-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 118099028
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-phenanthren-2-yl-6-(4-phenylphenyl)carbazole
CID 118098873
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
CID 118098971
N-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;9,9-dimethyl-N,7-diphenyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine
CID 158113731
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole
CID 159042536
3-dibenzofuran-2-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098960
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
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
3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 158774587

Frequently Asked Questions

What is the IUPAC name of 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole?
The IUPAC name of 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole (CID 118099089) is 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole.
What is the SMILES notation for 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole?
The canonical SMILES for 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)ccc2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole?
The InChIKey is KVWFEWADAVTCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO/c1-45(2)38-27-31(17-20-33(38)34-21-24-42-43(44(34)45)35-15-9-10-16-41(35)47-42)30-19-23-40-37(26-30)36-25-29(28-11-5-3-6-12-28)18-22-39(36)46(40)32-13-7-4-8-14-32/h3-27H,1-2H3.
What are the key properties of 3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole?
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole 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-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole is sourced from PubChem (CID 118099089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).