3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole

C97H63FN4 — CID 147053331

IUPAC3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c9ccccc9n(-c9cc(F)cc(-c%10ccc(-c%11ccccc%11)cc%10)c9)c78)ccc65)c4)c3)cc2)cc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)c1
InChIInChI=1S/C97H63FN4/c1-62-52-73(57-78(53-62)101-92-38-14-8-28-82(92)86-34-18-32-80(96(86)101)71-48-50-94-88(59-71)84-30-10-12-36-90(84)99(94)76-25-6-3-7-26-76)66-46-42-65(43-47-66)68-22-16-23-69(54-68)70-24-17-27-77(56-70)100-91-37-13-11-31-85(91)89-60-72(49-51-95(89)100)81-33-19-35-87-83-29-9-15-39-93(83)102(97(81)87)79-58-74(55-75(98)61-79)67-44-40-64(41-45-67)63-20-4-2-5-21-63/h2-61H,1H3
InChIKeyBBTBAFRBAIEQJB-UHFFFAOYSA-N
MW1303.60 g/mol
LogP26.19
Rot. Bonds11

About 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole

3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 147053331) has the molecular formula C97H63FN4 and a molecular weight of 1303.60 g/mol. Its IUPAC name is 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
PubChem CID147053331
Molecular FormulaC97H63FN4
Molecular Weight1303.60 g/mol
Exact Mass1302.50
IUPAC Name3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
SMILESCc1cc(-c2ccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c9ccccc9n(-c9cc(F)cc(-c%10ccc(-c%11ccccc%11)cc%10)c9)c78)ccc65)c4)c3)cc2)cc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)c1
InChIInChI=1S/C97H63FN4/c1-62-52-73(57-78(53-62)101-92-38-14-8-28-82(92)86-34-18-32-80(96(86)101)71-48-50-94-88(59-71)84-30-10-12-36-90(84)99(94)76-25-6-3-7-26-76)66-46-42-65(43-47-66)68-22-16-23-69(54-68)70-24-17-27-77(56-70)100-91-37-13-11-31-85(91)89-60-72(49-51-95(89)100)81-33-19-35-87-83-29-9-15-39-93(83)102(97(81)87)79-58-74(55-75(98)61-79)67-44-40-64(41-45-67)63-20-4-2-5-21-63/h2-61H,1H3
InChIKeyBBTBAFRBAIEQJB-UHFFFAOYSA-N
XLogP26.19
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.60
LogP ≤ 526.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole with MolForge

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Related Compounds

Dextranase
CID 167312536
9-[[4-(1,2,3,4-Tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
CID 71578978
9-(4-Methylphenyl)-2-phenylcarbazole
CID 72708123
Tris(4-carbazoyl-9-ylphenyl)amine
CID 9962045
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
2,2'-Di(9H-carbazol-9-yl)biphenyl
CID 12046749
9,3':6',9''-Ter-9H-carbazole
CID 12103890
9,9'-Diethyl-9H,9'H-3,3'-bicarbazole
CID 12218945
2,7-di(9H-carbazol-9-yl)-9,9'-spirobi[fluorene]
CID 21032473
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
N-((1,1'-biphenyl)-4-yl)-9,9-dimethyl-N-(4-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-fluoren-2-amine
CID 57746495

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 147053331) is 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole is Cc1cc(-c2ccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c9ccccc9n(-c9cc(F)cc(-c%10ccc(-c%11ccccc%11)cc%10)c9)c78)ccc65)c4)c3)cc2)cc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c32)c1.
What is the InChIKey of 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole?
The InChIKey is BBTBAFRBAIEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H63FN4/c1-62-52-73(57-78(53-62)101-92-38-14-8-28-82(92)86-34-18-32-80(96(86)101)71-48-50-94-88(59-71)84-30-10-12-36-90(84)99(94)76-25-6-3-7-26-76)66-46-42-65(43-47-66)68-22-16-23-69(54-68)70-24-17-27-77(56-70)100-91-37-13-11-31-85(91)89-60-72(49-51-95(89)100)81-33-19-35-87-83-29-9-15-39-93(83)102(97(81)87)79-58-74(55-75(98)61-79)67-44-40-64(41-45-67)63-20-4-2-5-21-63/h2-61H,1H3.
What are the key properties of 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole?
3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 1303.60 g/mol, XLogP of 26.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-fluoro-5-(4-phenylphenyl)phenyl]carbazol-1-yl]-9-[3-[3-[4-[3-methyl-5-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 147053331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).