11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole

C62H40N2 — CID 145210834

IUPAC11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
SMILESC1=CC(n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccc4ccccc4c32)CC=C1c1cccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)c1
InChIInChI=1S/C62H40N2/c1-2-16-47(17-3-1)63-58-22-7-6-19-51(58)56-37-45(27-33-59(56)63)46-28-34-60-57(38-46)54-32-25-40-11-4-5-18-49(40)62(54)64(60)48-29-23-39(24-30-48)42-14-8-15-43(35-42)44-26-31-50-52-20-9-12-41-13-10-21-53(61(41)52)55(50)36-44/h1-29,31-38,48H,30H2
InChIKeyNDQYMASNDXZYEJ-UHFFFAOYSA-N
MW813.02 g/mol
LogP16.76
Rot. Bonds5

About 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole

11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole (PubChem CID 145210834) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole.

Molecular Properties

Compound Name11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
PubChem CID145210834
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC Name11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
SMILESC1=CC(n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccc4ccccc4c32)CC=C1c1cccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)c1
InChIInChI=1S/C62H40N2/c1-2-16-47(17-3-1)63-58-22-7-6-19-51(58)56-37-45(27-33-59(56)63)46-28-34-60-57(38-46)54-32-25-40-11-4-5-18-49(40)62(54)64(60)48-29-23-39(24-30-48)42-14-8-15-43(35-42)44-26-31-50-52-20-9-12-41-13-10-21-53(61(41)52)55(50)36-44/h1-29,31-38,48H,30H2
InChIKeyNDQYMASNDXZYEJ-UHFFFAOYSA-N
XLogP16.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 516.76
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
9-[9-[3-(3-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304261
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-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
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
9-[4-[2-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-5-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 143103822
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
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

Frequently Asked Questions

What is the IUPAC name of 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The IUPAC name of 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole (CID 145210834) is 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole.
What is the SMILES notation for 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The canonical SMILES for 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole is C1=CC(n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccc4ccccc4c32)CC=C1c1cccc(-c2ccc3c(c2)-c2cccc4cccc-3c24)c1.
What is the InChIKey of 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
The InChIKey is NDQYMASNDXZYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-2-16-47(17-3-1)63-58-22-7-6-19-51(58)56-37-45(27-33-59(56)63)46-28-34-60-57(38-46)54-32-25-40-11-4-5-18-49(40)62(54)64(60)48-29-23-39(24-30-48)42-14-8-15-43(35-42)44-26-31-50-52-20-9-12-41-13-10-21-53(61(41)52)55(50)36-44/h1-29,31-38,48H,30H2.
What are the key properties of 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole?
11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole has a molecular weight of 813.02 g/mol, XLogP of 16.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(3-fluoranthen-8-ylphenyl)cyclohexa-2,4-dien-1-yl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole is sourced from PubChem (CID 145210834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).