8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole

C60H36N2 — CID 130294967

IUPAC8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C60H36N2/c1-2-16-44(17-3-1)61-56-30-26-40(34-53(56)51-28-24-37-12-4-6-19-46(37)59(51)61)41-27-31-57-54(35-41)52-29-25-38-13-5-7-20-47(38)60(52)62(57)45-18-10-14-39(33-45)43-32-42-15-11-23-50-48-21-8-9-22-49(48)55(36-43)58(42)50/h1-36H
InChIKeyGEDOZVGBXQFCRL-UHFFFAOYSA-N
MW784.96 g/mol
LogP16.32
Rot. Bonds4

About 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole

8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole (PubChem CID 130294967) has the molecular formula C60H36N2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
PubChem CID130294967
Molecular FormulaC60H36N2
Molecular Weight784.96 g/mol
Exact Mass784.29
IUPAC Name8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C60H36N2/c1-2-16-44(17-3-1)61-56-30-26-40(34-53(56)51-28-24-37-12-4-6-19-46(37)59(51)61)41-27-31-57-54(35-41)52-29-25-38-13-5-7-20-47(38)60(52)62(57)45-18-10-14-39(33-45)43-32-42-15-11-23-50-48-21-8-9-22-49(48)55(36-43)58(42)50/h1-36H
InChIKeyGEDOZVGBXQFCRL-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

11-[3-(2-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304252
9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
11-phenyl-8-[9-[4-[3-[2-[9-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]fluoranthen-2-yl]fluoranthen-8-yl]phenyl]phenyl]carbazol-2-yl]benzo[a]carbazole
CID 134535319
5-(3-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130294965
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
8-[9-[2-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-[2-(4-fluoranthen-8-ylphenyl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole;11-[3-(4-fluoranthen-8-ylphenyl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 157052314
9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole
CID 163849353

Frequently Asked Questions

What is the IUPAC name of 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole (CID 130294967) is 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is GEDOZVGBXQFCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2/c1-2-16-44(17-3-1)61-56-30-26-40(34-53(56)51-28-24-37-12-4-6-19-46(37)59(51)61)41-27-31-57-54(35-41)52-29-25-38-13-5-7-20-47(38)60(52)62(57)45-18-10-14-39(33-45)43-32-42-15-11-23-50-48-21-8-9-22-49(48)55(36-43)58(42)50/h1-36H.
What are the key properties of 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole?
8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]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 8-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130294967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).