3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole

C54H36N2 — CID 152852425

IUPAC3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H36N2/c1-4-16-37(17-5-1)46-35-48(39-20-8-3-9-21-39)49(36-47(46)38-18-6-2-7-19-38)40-28-30-41(31-29-40)55-53-27-15-12-24-45(53)50-34-42(32-33-54(50)55)56-51-25-13-10-22-43(51)44-23-11-14-26-52(44)56/h1-36H
InChIKeyTVQFZQXKSMDTCD-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.55
Rot. Bonds6

About 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole

3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole (PubChem CID 152852425) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
PubChem CID152852425
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H36N2/c1-4-16-37(17-5-1)46-35-48(39-20-8-3-9-21-39)49(36-47(46)38-18-6-2-7-19-38)40-28-30-41(31-29-40)55-53-27-15-12-24-45(53)50-34-42(32-33-54(50)55)56-51-25-13-10-22-43(51)44-23-11-14-26-52(44)56/h1-36H
InChIKeyTVQFZQXKSMDTCD-UHFFFAOYSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
9-[4-[3-(4-carbazol-9-ylphenyl)-4-(2,4,5-triphenylphenyl)phenyl]phenyl]carbazole
CID 58943753
3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole (CID 152852425) is 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole?
The InChIKey is TVQFZQXKSMDTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-16-37(17-5-1)46-35-48(39-20-8-3-9-21-39)49(36-47(46)38-18-6-2-7-19-38)40-28-30-41(31-29-40)55-53-27-15-12-24-45(53)50-34-42(32-33-54(50)55)56-51-25-13-10-22-43(51)44-23-11-14-26-52(44)56/h1-36H.
What are the key properties of 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole?
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole is sourced from PubChem (CID 152852425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).