8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole

C60H36N2 — CID 130304321

IUPAC8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)c7ccccc67)c5c4)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C60H36N2/c1-2-15-42(16-3-1)61-57-32-27-39(34-54(57)52-30-24-37-12-4-5-17-44(37)60(52)61)40-25-29-49-48-20-8-9-23-55(48)62(58(49)36-40)56-33-31-43(45-18-6-7-19-47(45)56)41-26-28-46-50-21-10-13-38-14-11-22-51(59(38)50)53(46)35-41/h1-36H
InChIKeyPZCWNMMSZXUMOD-UHFFFAOYSA-N
MW784.96 g/mol
LogP16.32
Rot. Bonds4

About 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole

8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole (PubChem CID 130304321) has the molecular formula C60H36N2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
PubChem CID130304321
Molecular FormulaC60H36N2
Molecular Weight784.96 g/mol
Exact Mass784.29
IUPAC Name8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)c7ccccc67)c5c4)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C60H36N2/c1-2-15-42(16-3-1)61-57-32-27-39(34-54(57)52-30-24-37-12-4-5-17-44(37)60(52)61)40-25-29-49-48-20-8-9-23-55(48)62(58(49)36-40)56-33-31-43(45-18-6-7-19-47(45)56)41-26-28-46-50-21-10-13-38-14-11-22-51(59(38)50)53(46)35-41/h1-36H
InChIKeyPZCWNMMSZXUMOD-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

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
9-[9-[2-(2-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304238
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-[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-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
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
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

Frequently Asked Questions

What is the IUPAC name of 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole (CID 130304321) is 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c(c7)-c7cccc9cccc-8c79)c7ccccc67)c5c4)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is PZCWNMMSZXUMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2/c1-2-15-42(16-3-1)61-57-32-27-39(34-54(57)52-30-24-37-12-4-5-17-44(37)60(52)61)40-25-29-49-48-20-8-9-23-55(48)62(58(49)36-40)56-33-31-43(45-18-6-7-19-47(45)56)41-26-28-46-50-21-10-13-38-14-11-22-51(59(38)50)53(46)35-41/h1-36H.
What are the key properties of 8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole?
8-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-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-[9-(4-fluoranthen-8-ylnaphthalen-1-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130304321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).