3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole

C56H36N2 — CID 58489697

IUPAC3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole
SMILESc1ccc(-n2c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3c3ccc4c(c32)Cc2ccc(-n3c5ccccc5c5ccccc53)cc2-4)cc1
InChIInChI=1S/C56H36N2/c1-3-15-37(16-4-1)56(50-23-11-7-19-42(50)43-20-8-12-24-51(43)56)38-28-32-54-48(34-38)46-31-30-41-47-35-40(57-52-25-13-9-21-44(52)45-22-10-14-26-53(45)57)29-27-36(47)33-49(41)55(46)58(54)39-17-5-2-6-18-39/h1-32,34-35H,33H2
InChIKeyZORQRIRYGMFZFA-UHFFFAOYSA-N
MW736.92 g/mol
LogP13.82
Rot. Bonds4

About 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole

3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole (PubChem CID 58489697) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole
PubChem CID58489697
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole
SMILESc1ccc(-n2c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3c3ccc4c(c32)Cc2ccc(-n3c5ccccc5c5ccccc53)cc2-4)cc1
InChIInChI=1S/C56H36N2/c1-3-15-37(16-4-1)56(50-23-11-7-19-42(50)43-20-8-12-24-51(43)56)38-28-32-54-48(34-38)46-31-30-41-47-35-40(57-52-25-13-9-21-44(52)45-22-10-14-26-53(45)57)29-27-36(47)33-49(41)55(46)58(54)39-17-5-2-6-18-39/h1-32,34-35H,33H2
InChIKeyZORQRIRYGMFZFA-UHFFFAOYSA-N
XLogP13.82
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-2-(9-phenylfluoren-9-yl)-12H-indeno[1,2-c]carbazole
CID 58489702
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965403
3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole
CID 58489632
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
9-(9,9-diphenylfluoren-2-yl)-3-methylcarbazole;9-(9H-fluoren-2-yl)-3-methylcarbazole;3-methyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;3-methyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 160834176
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)-6-(9-phenylfluoren-9-yl)carbazole
CID 167052712
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
2-bromo-9-phenyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167214778
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole?
The IUPAC name of 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole (CID 58489697) is 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole?
The canonical SMILES for 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole is c1ccc(-n2c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3c3ccc4c(c32)Cc2ccc(-n3c5ccccc5c5ccccc53)cc2-4)cc1.
What is the InChIKey of 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole?
The InChIKey is ZORQRIRYGMFZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-3-15-37(16-4-1)56(50-23-11-7-19-42(50)43-20-8-12-24-51(43)56)38-28-32-54-48(34-38)46-31-30-41-47-35-40(57-52-25-13-9-21-44(52)45-22-10-14-26-53(45)57)29-27-36(47)33-49(41)55(46)58(54)39-17-5-2-6-18-39/h1-32,34-35H,33H2.
What are the key properties of 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole?
3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole has a molecular weight of 736.92 g/mol, XLogP of 13.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole is sourced from PubChem (CID 58489697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).