9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole

C62H38N2 — CID 130304292

IUPAC9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccc(-c8ccc9c(c8)-c8cccc%10cccc-9c8%10)cc7)c6)c5c4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C62H38N2/c1-2-15-47(16-3-1)64-60-38-46(30-33-53(60)56-34-27-41-11-4-5-18-49(41)62(56)64)45-29-32-52-51-19-6-7-22-58(51)63(59(52)37-45)48-17-8-14-43(35-48)39-23-25-40(26-24-39)44-28-31-50-54-20-9-12-42-13-10-21-55(61(42)54)57(50)36-44/h1-38H
InChIKeyMYWMSUMRWRWCID-UHFFFAOYSA-N
MW811.00 g/mol
LogP16.84
Rot. Bonds5

About 9-[9-[3-(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 (PubChem CID 130304292) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
PubChem CID130304292
Molecular FormulaC62H38N2
Molecular Weight811.00 g/mol
Exact Mass810.30
IUPAC Name9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccc(-c8ccc9c(c8)-c8cccc%10cccc-9c8%10)cc7)c6)c5c4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C62H38N2/c1-2-15-47(16-3-1)64-60-38-46(30-33-53(60)56-34-27-41-11-4-5-18-49(41)62(56)64)45-29-32-52-51-19-6-7-22-58(51)63(59(52)37-45)48-17-8-14-43(35-48)39-23-25-40(26-24-39)44-28-31-50-54-20-9-12-42-13-10-21-55(61(42)54)57(50)36-44/h1-38H
InChIKeyMYWMSUMRWRWCID-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

9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
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-(2-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304252
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
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
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-[2-(2-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304238
8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304321
9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304406

Frequently Asked Questions

What is the IUPAC name of 9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole (CID 130304292) is 9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccc(-c8ccc9c(c8)-c8cccc%10cccc-9c8%10)cc7)c6)c5c4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is MYWMSUMRWRWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-2-15-47(16-3-1)64-60-38-46(30-33-53(60)56-34-27-41-11-4-5-18-49(41)62(56)64)45-29-32-52-51-19-6-7-22-58(51)63(59(52)37-45)48-17-8-14-43(35-48)39-23-25-40(26-24-39)44-28-31-50-54-20-9-12-42-13-10-21-55(61(42)54)57(50)36-44/h1-38H.
What are the key properties of 9-[9-[3-(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 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 9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130304292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).