5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole

C60H36N2 — CID 130295046

IUPAC5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C60H36N2/c1-2-15-45(16-3-1)61-56-29-25-42(34-54(56)60-47-17-7-6-11-38(47)23-30-57(60)61)41-24-28-55-51(33-41)52-32-39-12-4-5-13-40(39)36-58(52)62(55)46-26-21-37(22-27-46)44-31-43-14-10-20-50-48-18-8-9-19-49(48)53(35-44)59(43)50/h1-36H
InChIKeyLEVTUVIKOKXJSF-UHFFFAOYSA-N
MW784.96 g/mol
LogP16.32
Rot. Bonds4

About 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole

5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole (PubChem CID 130295046) has the molecular formula C60H36N2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
PubChem CID130295046
Molecular FormulaC60H36N2
Molecular Weight784.96 g/mol
Exact Mass784.29
IUPAC Name5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C60H36N2/c1-2-15-45(16-3-1)61-56-29-25-42(34-54(56)60-47-17-7-6-11-38(47)23-30-57(60)61)41-24-28-55-51(33-41)52-32-39-12-4-5-13-40(39)36-58(52)62(55)46-26-21-37(22-27-46)44-31-43-14-10-20-50-48-18-8-9-19-49(48)53(35-44)59(43)50/h1-36H
InChIKeyLEVTUVIKOKXJSF-UHFFFAOYSA-N
XLogP16.32
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.96
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole (CID 130295046) is 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)cc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole?
The InChIKey is LEVTUVIKOKXJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2/c1-2-15-45(16-3-1)61-56-29-25-42(34-54(56)60-47-17-7-6-11-38(47)23-30-57(60)61)41-24-28-55-51(33-41)52-32-39-12-4-5-13-40(39)36-58(52)62(55)46-26-21-37(22-27-46)44-31-43-14-10-20-50-48-18-8-9-19-49(48)53(35-44)59(43)50/h1-36H.
What are the key properties of 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole?
5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole has a molecular weight of 784.96 g/mol, XLogP of 16.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole is sourced from PubChem (CID 130295046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).