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

C62H38N2 — CID 130304406

IUPAC9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c5c4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C62H38N2/c1-2-14-43(15-3-1)64-60-38-42(29-33-53(60)57-34-27-39-13-4-5-17-46(39)62(57)64)41-28-32-52-51-21-10-11-24-58(51)63(59(52)37-41)44-30-25-40(26-31-44)45-16-6-7-18-47(45)50-35-36-56-49-20-9-8-19-48(49)54-22-12-23-55(50)61(54)56/h1-38H
InChIKeyWRILJDUZYAVNOX-UHFFFAOYSA-N
MW811.00 g/mol
LogP16.84
Rot. Bonds5

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

9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole (PubChem CID 130304406) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
PubChem CID130304406
Molecular FormulaC62H38N2
Molecular Weight811.00 g/mol
Exact Mass810.30
IUPAC Name9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c5c4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C62H38N2/c1-2-14-43(15-3-1)64-60-38-42(29-33-53(60)57-34-27-39-13-4-5-17-46(39)62(57)64)41-28-32-52-51-21-10-11-24-58(51)63(59(52)37-41)44-30-25-40(26-31-44)45-16-6-7-18-47(45)50-35-36-56-49-20-9-8-19-48(49)54-22-12-23-55(50)61(54)56/h1-38H
InChIKeyWRILJDUZYAVNOX-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

8-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;9-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 161262150
11-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 130304461
8-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-[2-(4-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-[2-(4-fluoranthen-3-ylphenyl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(3-fluoranthen-3-ylphenyl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 158028690
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
8-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole;9-[9-(2-fluoranthen-3-ylphenyl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-(2-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(2-fluoranthen-3-ylphenyl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(2-fluoranthen-3-ylphenyl)-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 157293261
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
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
9-[9-(2-fluoranthen-3-ylphenyl)-4-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]fluoranthen-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130306225
9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
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

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole (CID 130304406) is 9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c5c4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is WRILJDUZYAVNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-2-14-43(15-3-1)64-60-38-42(29-33-53(60)57-34-27-39-13-4-5-17-46(39)62(57)64)41-28-32-52-51-21-10-11-24-58(51)63(59(52)37-41)44-30-25-40(26-31-44)45-16-6-7-18-47(45)50-35-36-56-49-20-9-8-19-48(49)54-22-12-23-55(50)61(54)56/h1-38H.
What are the key properties of 9-[9-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole?
9-[9-[4-(2-fluoranthen-3-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-[4-(2-fluoranthen-3-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130304406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).