2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole

C102H62N2O — CID 157115007

IUPAC2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3oc4ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C51H29NO.C51H33N/c1-52-36-23-19-31(20-24-36)34-21-27-45-43(29-34)44-30-35(22-28-46(44)53-45)37-25-26-42-49-38(37)17-10-18-41(49)50-47(32-11-4-2-5-12-32)39-15-8-9-16-40(39)48(51(42)50)33-13-6-3-7-14-33;1-32-23-26-36(27-24-32)52-45-22-11-10-17-38(45)44-31-35(25-30-46(44)52)37-28-29-43-49-39(37)20-12-21-42(49)50-47(33-13-4-2-5-14-33)40-18-8-9-19-41(40)48(51(43)50)34-15-6-3-7-16-34/h2-30H;2-31H,1H3
InChIKeyAHHHOKKPMLPLHS-UHFFFAOYSA-N
MW1331.63 g/mol
LogP28.81
Rot. Bonds8

About 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole

2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole (PubChem CID 157115007) has the molecular formula C102H62N2O and a molecular weight of 1331.63 g/mol. Its IUPAC name is 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole
PubChem CID157115007
Molecular FormulaC102H62N2O
Molecular Weight1331.63 g/mol
Exact Mass1330.49
IUPAC Name2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3oc4ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C51H29NO.C51H33N/c1-52-36-23-19-31(20-24-36)34-21-27-45-43(29-34)44-30-35(22-28-46(44)53-45)37-25-26-42-49-38(37)17-10-18-41(49)50-47(32-11-4-2-5-12-32)39-15-8-9-16-40(39)48(51(42)50)33-13-6-3-7-14-33;1-32-23-26-36(27-24-32)52-45-22-11-10-17-38(45)44-31-35(25-30-46(44)52)37-28-29-43-49-39(37)20-12-21-42(49)50-47(33-13-4-2-5-14-33)40-18-8-9-19-41(40)48(51(43)50)34-15-6-3-7-16-34/h2-30H;2-31H,1H3
InChIKeyAHHHOKKPMLPLHS-UHFFFAOYSA-N
XLogP28.81
TPSA22.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001331.63
LogP ≤ 528.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)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

3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole
CID 58988745
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
CID 58988845
3-dibenzofuran-2-yl-6-fluoranthen-3-yl-9-phenylcarbazole
CID 122434706
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416

Frequently Asked Questions

What is the IUPAC name of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole?
The IUPAC name of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole (CID 157115007) is 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole.
What is the SMILES notation for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole?
The canonical SMILES for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3oc4ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole?
The InChIKey is AHHHOKKPMLPLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29NO.C51H33N/c1-52-36-23-19-31(20-24-36)34-21-27-45-43(29-34)44-30-35(22-28-46(44)53-45)37-25-26-42-49-38(37)17-10-18-41(49)50-47(32-11-4-2-5-12-32)39-15-8-9-16-40(39)48(51(42)50)33-13-6-3-7-14-33;1-32-23-26-36(27-24-32)52-45-22-11-10-17-38(45)44-31-35(25-30-46(44)52)37-28-29-43-49-39(37)20-12-21-42(49)50-47(33-13-4-2-5-14-33)40-18-8-9-19-41(40)48(51(43)50)34-15-6-3-7-16-34/h2-30H;2-31H,1H3.
What are the key properties of 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole?
2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole has a molecular weight of 1331.63 g/mol, XLogP of 28.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-8-(4-isocyanophenyl)dibenzofuran;3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-(4-methylphenyl)carbazole is sourced from PubChem (CID 157115007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).