6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole

C63H44N2O — CID 167082258

IUPAC6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1c(C1=CCCC=C1)cc1c3cc(-c4ccccc4)ccc3n(-c3ccc4oc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)c21
InChIInChI=1S/C63H44N2O/c1-63(2)53-26-14-12-24-47(53)60-61(63)48(40-19-8-4-9-20-40)38-51-50-35-41(39-17-6-3-7-18-39)29-32-56(50)65(62(51)60)44-31-34-57-52(37-44)59-45(25-16-28-58(59)66-57)42-30-33-55-49(36-42)46-23-13-15-27-54(46)64(55)43-21-10-5-11-22-43/h3,5-8,10-38H,4,9H2,1-2H3
InChIKeyNYXXIVRONLKGLZ-UHFFFAOYSA-N
MW845.06 g/mol
LogP17.15
Rot. Bonds5

About 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole

6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole (PubChem CID 167082258) has the molecular formula C63H44N2O and a molecular weight of 845.06 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole
PubChem CID167082258
Molecular FormulaC63H44N2O
Molecular Weight845.06 g/mol
Exact Mass844.35
IUPAC Name6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1c(C1=CCCC=C1)cc1c3cc(-c4ccccc4)ccc3n(-c3ccc4oc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)c21
InChIInChI=1S/C63H44N2O/c1-63(2)53-26-14-12-24-47(53)60-61(63)48(40-19-8-4-9-20-40)38-51-50-35-41(39-17-6-3-7-18-39)29-32-56(50)65(62(51)60)44-31-34-57-52(37-44)59-45(25-16-28-58(59)66-57)42-30-33-55-49(36-42)46-23-13-15-27-54(46)64(55)43-21-10-5-11-22-43/h3,5-8,10-38H,4,9H2,1-2H3
InChIKeyNYXXIVRONLKGLZ-UHFFFAOYSA-N
XLogP17.15
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole 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

7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 147587189
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
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-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168727712
9-[5-(3-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethylfluoren-2-yl]-3-cyclohexa-1,5-dien-1-yl-6-phenylcarbazole
CID 166895471
3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 158316939

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole (CID 167082258) is 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1c(C1=CCCC=C1)cc1c3cc(-c4ccccc4)ccc3n(-c3ccc4oc5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5c4c3)c21.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole?
The InChIKey is NYXXIVRONLKGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2O/c1-63(2)53-26-14-12-24-47(53)60-61(63)48(40-19-8-4-9-20-40)38-51-50-35-41(39-17-6-3-7-18-39)29-32-56(50)65(62(51)60)44-31-34-57-52(37-44)59-45(25-16-28-58(59)66-57)42-30-33-55-49(36-42)46-23-13-15-27-54(46)64(55)43-21-10-5-11-22-43/h3,5-8,10-38H,4,9H2,1-2H3.
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole?
6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole has a molecular weight of 845.06 g/mol, XLogP of 17.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-7,7-dimethyl-3-phenyl-12-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[1,2-a]carbazole is sourced from PubChem (CID 167082258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).