11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole

C63H42N2 — CID 134535308

IUPAC11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole
SMILESCC1CC=Cc2c1n(-c1ccccc1)c1ccc(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3-c3ccccc3-c3ccc4c(c3)-c3cccc5cccc-4c35)cc21
InChIInChI=1S/C63H42N2/c1-39-14-11-26-53-56-36-42(30-34-59(56)64(62(39)53)45-18-3-2-4-19-45)43-31-35-60-57(37-43)54-33-28-40-15-5-6-21-47(40)63(54)65(60)58-27-10-9-23-50(58)48-22-8-7-20-46(48)44-29-32-49-51-24-12-16-41-17-13-25-52(61(41)51)55(49)38-44/h2-13,15-39H,14H2,1H3
InChIKeyDSQLHEOSJBAYAL-UHFFFAOYSA-N
MW827.04 g/mol
LogP17.20
Rot. Bonds5

About 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole

11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole (PubChem CID 134535308) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole.

Molecular Properties

Compound Name11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole
PubChem CID134535308
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC Name11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole
SMILESCC1CC=Cc2c1n(-c1ccccc1)c1ccc(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3-c3ccccc3-c3ccc4c(c3)-c3cccc5cccc-4c35)cc21
InChIInChI=1S/C63H42N2/c1-39-14-11-26-53-56-36-42(30-34-59(56)64(62(39)53)45-18-3-2-4-19-45)43-31-35-60-57(37-43)54-33-28-40-15-5-6-21-47(40)63(54)65(60)58-27-10-9-23-50(58)48-22-8-7-20-46(48)44-29-32-49-51-24-12-16-41-17-13-25-52(61(41)51)55(49)38-44/h2-13,15-39H,14H2,1H3
InChIKeyDSQLHEOSJBAYAL-UHFFFAOYSA-N
XLogP17.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[9-[2-(2-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304238
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-(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
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
8-(9-fluoranthen-8-ylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 130304370
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
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-[11-(3-fluoranthen-2-ylphenyl)benzo[a]carbazol-8-yl]-11-phenylbenzo[a]carbazole
CID 130294967

Frequently Asked Questions

What is the IUPAC name of 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole?
The IUPAC name of 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole (CID 134535308) is 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole.
What is the SMILES notation for 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole?
The canonical SMILES for 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole is CC1CC=Cc2c1n(-c1ccccc1)c1ccc(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3-c3ccccc3-c3ccc4c(c3)-c3cccc5cccc-4c35)cc21.
What is the InChIKey of 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole?
The InChIKey is DSQLHEOSJBAYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-39-14-11-26-53-56-36-42(30-34-59(56)64(62(39)53)45-18-3-2-4-19-45)43-31-35-60-57(37-43)54-33-28-40-15-5-6-21-47(40)63(54)65(60)58-27-10-9-23-50(58)48-22-8-7-20-46(48)44-29-32-49-51-24-12-16-41-17-13-25-52(61(41)51)55(49)38-44/h2-13,15-39H,14H2,1H3.
What are the key properties of 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole?
11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole has a molecular weight of 827.04 g/mol, XLogP of 17.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole is sourced from PubChem (CID 134535308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).