3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C74H43F4N3 — CID 59307012

IUPAC3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESFc1ccc(-n2c3ccc(F)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(F)ccc6n7-c6ccc(F)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C74H43F4N3/c75-50-20-28-55(29-21-50)80-69-34-18-48(40-63(69)65-42-52(77)24-36-71(65)80)46-16-32-67-61(38-46)62-39-47(49-19-35-70-64(41-49)66-43-53(78)25-37-72(66)81(70)56-30-22-51(76)23-31-56)17-33-68(62)79(67)54-26-14-45(15-27-54)74-59-12-6-4-10-57(59)73(44-8-2-1-3-9-44)58-11-5-7-13-60(58)74/h1-43H
InChIKeyMWRBAWRZCPUMNO-UHFFFAOYSA-N
MW1050.17 g/mol
LogP20.51
Rot. Bonds7

About 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 59307012) has the molecular formula C74H43F4N3 and a molecular weight of 1050.17 g/mol. Its IUPAC name is 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID59307012
Molecular FormulaC74H43F4N3
Molecular Weight1050.17 g/mol
Exact Mass1049.34
IUPAC Name3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESFc1ccc(-n2c3ccc(F)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(F)ccc6n7-c6ccc(F)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C74H43F4N3/c75-50-20-28-55(29-21-50)80-69-34-18-48(40-63(69)65-42-52(77)24-36-71(65)80)46-16-32-67-61(38-46)62-39-47(49-19-35-70-64(41-49)66-43-53(78)25-37-72(66)81(70)56-30-22-51(76)23-31-56)17-33-68(62)79(67)54-26-14-45(15-27-54)74-59-12-6-4-10-57(59)73(44-8-2-1-3-9-44)58-11-5-7-13-60(58)74/h1-43H
InChIKeyMWRBAWRZCPUMNO-UHFFFAOYSA-N
XLogP20.51
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.17
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
CID 23534185
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole;ethane
CID 142805188
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90336953
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 59307012) is 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is Fc1ccc(-n2c3ccc(F)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(F)ccc6n7-c6ccc(F)cc6)ccc4n5-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)ccc32)cc1.
What is the InChIKey of 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is MWRBAWRZCPUMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H43F4N3/c75-50-20-28-55(29-21-50)80-69-34-18-48(40-63(69)65-42-52(77)24-36-71(65)80)46-16-32-67-61(38-46)62-39-47(49-19-35-70-64(41-49)66-43-53(78)25-37-72(66)81(70)56-30-22-51(76)23-31-56)17-33-68(62)79(67)54-26-14-45(15-27-54)74-59-12-6-4-10-57(59)73(44-8-2-1-3-9-44)58-11-5-7-13-60(58)74/h1-43H.
What are the key properties of 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1050.17 g/mol, XLogP of 20.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 59307012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).