11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole

C62H38N2 — CID 130304278

IUPAC11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccc(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)cc4)ccc32)cc1
InChIInChI=1S/C62H38N2/c1-2-16-47(17-3-1)63-58-22-7-6-19-51(58)56-37-45(27-33-59(56)63)46-28-34-60-57(38-46)54-32-25-40-11-4-5-18-49(40)62(54)64(60)48-29-23-39(24-30-48)42-14-8-15-43(35-42)44-26-31-50-52-20-9-12-41-13-10-21-53(61(41)52)55(50)36-44/h1-38H
InChIKeyLGKPLGJEKKXEQM-UHFFFAOYSA-N
MW811.00 g/mol
LogP16.84
Rot. Bonds5

About 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole

11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole (PubChem CID 130304278) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole.

Molecular Properties

Compound Name11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
PubChem CID130304278
Molecular FormulaC62H38N2
Molecular Weight811.00 g/mol
Exact Mass810.30
IUPAC Name11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccc(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)cc4)ccc32)cc1
InChIInChI=1S/C62H38N2/c1-2-16-47(17-3-1)63-58-22-7-6-19-51(58)56-37-45(27-33-59(56)63)46-28-34-60-57(38-46)54-32-25-40-11-4-5-18-49(40)62(54)64(60)48-29-23-39(24-30-48)42-14-8-15-43(35-42)44-26-31-50-52-20-9-12-41-13-10-21-53(61(41)52)55(50)36-44/h1-38H
InChIKeyLGKPLGJEKKXEQM-UHFFFAOYSA-N
XLogP16.84
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 516.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
11-[3-(2-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304252
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
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
9-[9-(5-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-(5-fluoranthen-8-ylnaphthalen-1-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(5-fluoranthen-8-ylnaphthalen-1-yl)-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole;8-[9-[4-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 159232477
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
11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304321
9-[9-[2-(2-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304238

Frequently Asked Questions

What is the IUPAC name of 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The IUPAC name of 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole (CID 130304278) is 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole.
What is the SMILES notation for 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The canonical SMILES for 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccc(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)cc4)ccc32)cc1.
What is the InChIKey of 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The InChIKey is LGKPLGJEKKXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-2-16-47(17-3-1)63-58-22-7-6-19-51(58)56-37-45(27-33-59(56)63)46-28-34-60-57(38-46)54-32-25-40-11-4-5-18-49(40)62(54)64(60)48-29-23-39(24-30-48)42-14-8-15-43(35-42)44-26-31-50-52-20-9-12-41-13-10-21-53(61(41)52)55(50)36-44/h1-38H.
What are the key properties of 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole has a molecular weight of 811.00 g/mol, XLogP of 16.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole is sourced from PubChem (CID 130304278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).