3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

C48H32N2 — CID 118449494

IUPAC3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C48H32N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-45-22-11-10-21-41(45)42-31-37(24-27-46(42)50)38-25-28-48-44(32-38)43-30-36(34-15-6-2-7-16-34)23-26-47(43)49(48)39-18-8-3-9-19-39/h1-32H
InChIKeyWSYJQRVFXDZWTP-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds5

About 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 118449494) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID118449494
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C48H32N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-45-22-11-10-21-41(45)42-31-37(24-27-46(42)50)38-25-28-48-44(32-38)43-30-36(34-15-6-2-7-16-34)23-26-47(43)49(48)39-18-8-3-9-19-39/h1-32H
InChIKeyWSYJQRVFXDZWTP-UHFFFAOYSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (CID 118449494) is 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is WSYJQRVFXDZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-13-33(14-5-1)35-17-12-20-40(29-35)50-45-22-11-10-21-41(45)42-31-37(24-27-46(42)50)38-25-28-48-44(32-38)43-30-36(34-15-6-2-7-16-34)23-26-47(43)49(48)39-18-8-3-9-19-39/h1-32H.
What are the key properties of 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 636.80 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 118449494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).