8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole

C56H36N2 — CID 145210853

IUPAC8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole
SMILESC1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)C=C2c3ccc4ccccc4c3N(c3ccccc3)C2C1
InChIInChI=1S/C56H36N2/c1-2-14-39(15-3-1)58-54-31-26-37(34-51(54)49-27-24-35-12-4-5-17-42(35)56(49)58)36-25-30-53-50(33-36)45-20-8-9-23-52(45)57(53)40-16-10-13-38(32-40)41-28-29-48-44-19-7-6-18-43(44)47-22-11-21-46(41)55(47)48/h1-30,32-34,54H,31H2
InChIKeyZFBPPEHIRPLRQJ-UHFFFAOYSA-N
MW736.92 g/mol
LogP14.80
Rot. Bonds4

About 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole

8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole (PubChem CID 145210853) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole.

Molecular Properties

Compound Name8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole
PubChem CID145210853
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole
SMILESC1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)C=C2c3ccc4ccccc4c3N(c3ccccc3)C2C1
InChIInChI=1S/C56H36N2/c1-2-14-39(15-3-1)58-54-31-26-37(34-51(54)49-27-24-35-12-4-5-17-42(35)56(49)58)36-25-30-53-50(33-36)45-20-8-9-23-52(45)57(53)40-16-10-13-38(32-40)41-28-29-48-44-19-7-6-18-43(44)47-22-11-21-46(41)55(47)48/h1-30,32-34,54H,31H2
InChIKeyZFBPPEHIRPLRQJ-UHFFFAOYSA-N
XLogP14.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-[3-(3-fluoranthen-3-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304405
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919
9-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-3-(9-naphthalen-1-yl-1,9a-dihydrocarbazol-3-yl)carbazole
CID 170143175
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
11-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 130304461
3-[6-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
CID 145218205

Frequently Asked Questions

What is the IUPAC name of 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole?
The IUPAC name of 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole (CID 145210853) is 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole.
What is the SMILES notation for 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole?
The canonical SMILES for 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole is C1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)C=C2c3ccc4ccccc4c3N(c3ccccc3)C2C1.
What is the InChIKey of 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole?
The InChIKey is ZFBPPEHIRPLRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-2-14-39(15-3-1)58-54-31-26-37(34-51(54)49-27-24-35-12-4-5-17-42(35)56(49)58)36-25-30-53-50(33-36)45-20-8-9-23-52(45)57(53)40-16-10-13-38(32-40)41-28-29-48-44-19-7-6-18-43(44)47-22-11-21-46(41)55(47)48/h1-30,32-34,54H,31H2.
What are the key properties of 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole?
8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole has a molecular weight of 736.92 g/mol, XLogP of 14.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenyl-10,10a-dihydrobenzo[a]carbazole is sourced from PubChem (CID 145210853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).