8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole

C50H30N2 — CID 130304370

IUPAC8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C50H30N2/c1-2-13-35(14-3-1)52-48-27-22-34(29-45(48)42-24-20-31-10-4-5-15-37(31)50(42)52)33-21-26-47-44(28-33)39-16-6-7-19-46(39)51(47)36-23-25-38-40-17-8-11-32-12-9-18-41(49(32)40)43(38)30-36/h1-30H
InChIKeyPEMUMWBQFZWROU-UHFFFAOYSA-N
MW658.80 g/mol
LogP13.50
Rot. Bonds3

About 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole

8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole (PubChem CID 130304370) has the molecular formula C50H30N2 and a molecular weight of 658.80 g/mol. Its IUPAC name is 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
PubChem CID130304370
Molecular FormulaC50H30N2
Molecular Weight658.80 g/mol
Exact Mass658.24
IUPAC Name8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C50H30N2/c1-2-13-35(14-3-1)52-48-27-22-34(29-45(48)42-24-20-31-10-4-5-15-37(31)50(42)52)33-21-26-47-44(28-33)39-16-6-7-19-46(39)51(47)36-23-25-38-40-17-8-11-32-12-9-18-41(49(32)40)43(38)30-36/h1-30H
InChIKeyPEMUMWBQFZWROU-UHFFFAOYSA-N
XLogP13.50
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
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
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
11-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326452
11-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326454
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
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-(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-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The IUPAC name of 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole (CID 130304370) is 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The canonical SMILES for 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
The InChIKey is PEMUMWBQFZWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2/c1-2-13-35(14-3-1)52-48-27-22-34(29-45(48)42-24-20-31-10-4-5-15-37(31)50(42)52)33-21-26-47-44(28-33)39-16-6-7-19-46(39)51(47)36-23-25-38-40-17-8-11-32-12-9-18-41(49(32)40)43(38)30-36/h1-30H.
What are the key properties of 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole?
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole has a molecular weight of 658.80 g/mol, XLogP of 13.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130304370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).