9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole

C86H56F4N4 — CID 89018420

IUPAC9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole
SMILESCc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc(-c2ccc3c(c2)C2C=CC=CC2N3c2ccc(F)cc2)cc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)c1C
InChIInChI=1S/C86H56F4N4/c1-51-71(55-21-41-85-77(45-55)69-13-5-9-17-81(69)93(85)65-35-27-61(89)28-36-65)47-57(53-19-39-83-75(43-53)67-11-3-7-15-79(67)91(83)63-31-23-59(87)24-32-63)49-73(51)74-50-58(54-20-40-84-76(44-54)68-12-4-8-16-80(68)92(84)64-33-25-60(88)26-34-64)48-72(52(74)2)56-22-42-86-78(46-56)70-14-6-10-18-82(70)94(86)66-37-29-62(90)30-38-66/h3-50,67,79H,1-2H3
InChIKeyINCAPJSAAHCRDV-UHFFFAOYSA-N
MW1221.41 g/mol
LogP23.22
Rot. Bonds9

About 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole

9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole (PubChem CID 89018420) has the molecular formula C86H56F4N4 and a molecular weight of 1221.41 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole.

Molecular Properties

Compound Name9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole
PubChem CID89018420
Molecular FormulaC86H56F4N4
Molecular Weight1221.41 g/mol
Exact Mass1220.44
IUPAC Name9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole
SMILESCc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc(-c2ccc3c(c2)C2C=CC=CC2N3c2ccc(F)cc2)cc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)c1C
InChIInChI=1S/C86H56F4N4/c1-51-71(55-21-41-85-77(45-55)69-13-5-9-17-81(69)93(85)65-35-27-61(89)28-36-65)47-57(53-19-39-83-75(43-53)67-11-3-7-15-79(67)91(83)63-31-23-59(87)24-32-63)49-73(51)74-50-58(54-20-40-84-76(44-54)68-12-4-8-16-80(68)92(84)64-33-25-60(88)26-34-64)48-72(52(74)2)56-22-42-86-78(46-56)70-14-6-10-18-82(70)94(86)66-37-29-62(90)30-38-66/h3-50,67,79H,1-2H3
InChIKeyINCAPJSAAHCRDV-UHFFFAOYSA-N
XLogP23.22
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.41
LogP ≤ 523.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole with MolForge

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Related Compounds

9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-[4-(3-methylphenyl)phenyl]-3-[9-[4-(3-methylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 144943124
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 166750436
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole?
The IUPAC name of 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole (CID 89018420) is 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole.
What is the SMILES notation for 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole?
The canonical SMILES for 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole is Cc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc(-c2ccc3c(c2)C2C=CC=CC2N3c2ccc(F)cc2)cc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)c1C.
What is the InChIKey of 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole?
The InChIKey is INCAPJSAAHCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H56F4N4/c1-51-71(55-21-41-85-77(45-55)69-13-5-9-17-81(69)93(85)65-35-27-61(89)28-36-65)47-57(53-19-39-83-75(43-53)67-11-3-7-15-79(67)91(83)63-31-23-59(87)24-32-63)49-73(51)74-50-58(54-20-40-84-76(44-54)68-12-4-8-16-80(68)92(84)64-33-25-60(88)26-34-64)48-72(52(74)2)56-22-42-86-78(46-56)70-14-6-10-18-82(70)94(86)66-37-29-62(90)30-38-66/h3-50,67,79H,1-2H3.
What are the key properties of 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole?
9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole has a molecular weight of 1221.41 g/mol, XLogP of 23.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-3-[3-[5-[9-(4-fluorophenyl)-4b,8a-dihydrocarbazol-3-yl]-3-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]-5-[9-(4-fluorophenyl)carbazol-3-yl]-2-methylphenyl]carbazole is sourced from PubChem (CID 89018420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).