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

C53H37NO — CID 144578863

IUPAC9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole
SMILESCC1(C)c2cc(-n3c4c(c5cc(-c6ccc7ccccc7c6)ccc53)C=C(c3ccc5ccccc5c3)CC4)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C53H37NO/c1-53(2)46-31-40(21-22-41(46)42-23-26-50-51(52(42)53)43-13-7-8-14-49(43)55-50)54-47-24-19-38(36-17-15-32-9-3-5-11-34(32)27-36)29-44(47)45-30-39(20-25-48(45)54)37-18-16-33-10-4-6-12-35(33)28-37/h3-19,21-24,26-31H,20,25H2,1-2H3
InChIKeyIJRWVUSAKSXFEL-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.30
Rot. Bonds3

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

9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole (PubChem CID 144578863) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole
PubChem CID144578863
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole
SMILESCC1(C)c2cc(-n3c4c(c5cc(-c6ccc7ccccc7c6)ccc53)C=C(c3ccc5ccccc5c3)CC4)ccc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/C53H37NO/c1-53(2)46-31-40(21-22-41(46)42-23-26-50-51(52(42)53)43-13-7-8-14-49(43)55-50)54-47-24-19-38(36-17-15-32-9-3-5-11-34(32)27-36)29-44(47)45-30-39(20-25-48(45)54)37-18-16-33-10-4-6-12-35(33)28-37/h3-19,21-24,26-31H,20,25H2,1-2H3
InChIKeyIJRWVUSAKSXFEL-UHFFFAOYSA-N
XLogP14.30
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-phenanthren-2-yl-6-(4-phenylphenyl)carbazole
CID 118098873
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 118099028
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
CID 118098971
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
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 58510584
9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
CID 160839685
3-dibenzofuran-2-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098960
22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 158220015
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074

Frequently Asked Questions

What is the IUPAC name of 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole?
The IUPAC name of 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole (CID 144578863) is 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole.
What is the SMILES notation for 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole?
The canonical SMILES for 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole is CC1(C)c2cc(-n3c4c(c5cc(-c6ccc7ccccc7c6)ccc53)C=C(c3ccc5ccccc5c3)CC4)ccc2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole?
The InChIKey is IJRWVUSAKSXFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)46-31-40(21-22-41(46)42-23-26-50-51(52(42)53)43-13-7-8-14-49(43)55-50)54-47-24-19-38(36-17-15-32-9-3-5-11-34(32)27-36)29-44(47)45-30-39(20-25-48(45)54)37-18-16-33-10-4-6-12-35(33)28-37/h3-19,21-24,26-31H,20,25H2,1-2H3.
What are the key properties of 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole?
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole has a molecular weight of 703.89 g/mol, XLogP of 14.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-dinaphthalen-2-yl-1,2-dihydrocarbazole is sourced from PubChem (CID 144578863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).