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

C56H34N2 — CID 130304356

IUPAC9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C56H34N2/c1-2-13-41(14-3-1)58-54-34-40(24-29-46(54)49-30-22-36-10-4-5-15-43(36)56(49)58)39-25-31-53-51(33-39)45-16-6-7-19-52(45)57(53)42-26-20-35(21-27-42)38-23-28-44-47-17-8-11-37-12-9-18-48(55(37)47)50(44)32-38/h1-34H
InChIKeyKWJVYNDNWCHQDX-UHFFFAOYSA-N
MW734.90 g/mol
LogP15.17
Rot. Bonds4

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

9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole (PubChem CID 130304356) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
PubChem CID130304356
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC Name9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C56H34N2/c1-2-13-41(14-3-1)58-54-34-40(24-29-46(54)49-30-22-36-10-4-5-15-43(36)56(49)58)39-25-31-53-51(33-39)45-16-6-7-19-52(45)57(53)42-26-20-35(21-27-42)38-23-28-44-47-17-8-11-37-12-9-18-48(55(37)47)50(44)32-38/h1-34H
InChIKeyKWJVYNDNWCHQDX-UHFFFAOYSA-N
XLogP15.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
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
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
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
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 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The IUPAC name of 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole (CID 130304356) is 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The canonical SMILES for 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
The InChIKey is KWJVYNDNWCHQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2/c1-2-13-41(14-3-1)58-54-34-40(24-29-46(54)49-30-22-36-10-4-5-15-43(36)56(49)58)39-25-31-53-51(33-39)45-16-6-7-19-52(45)57(53)42-26-20-35(21-27-42)38-23-28-44-47-17-8-11-37-12-9-18-48(55(37)47)50(44)32-38/h1-34H.
What are the key properties of 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 734.90 g/mol, XLogP of 15.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 130304356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).