3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

C48H32N2 — CID 153283421

IUPAC3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C48H32N2/c1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h1-32H/i7D
InChIKeyGVEOOAAZBOGDSN-WHRKIXHSSA-N
MW637.80 g/mol
LogP12.88
Rot. Bonds5

About 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 153283421) has the molecular formula C48H32N2 and a molecular weight of 637.80 g/mol. Its IUPAC name is 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID153283421
Molecular FormulaC48H32N2
Molecular Weight637.80 g/mol
Exact Mass637.26
IUPAC Name3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C48H32N2/c1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h1-32H/i7D
InChIKeyGVEOOAAZBOGDSN-WHRKIXHSSA-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 ≤ 500637.80
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-deuterio-6-(6-deuterio-9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-deuterio-6-[6-deuterio-9-(4-phenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-naphthalen-2-yl-6-phenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-6,9-diphenylcarbazole
CID 157333681
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 153283225
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 153283421) is 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is [2H]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is GVEOOAAZBOGDSN-WHRKIXHSSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h1-32H/i7D.
What are the key properties of 3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 637.80 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-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 153283421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).