3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole

C48H32N2 — CID 153283225

IUPAC3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole
SMILES[2H]c1ccc2c(c1)c1cc(-c3ccc4c5cc([2H])ccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C48H32N2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-40(29-37)50-45-22-12-10-20-41(45)43-26-24-36(32-48(43)50)35-25-27-47-44(31-35)42-21-11-13-23-46(42)49(47)39-18-8-3-9-19-39/h1-32H/i10D,11D
InChIKeyMQVHZVAZACLFSP-MIBQVNFTSA-N
MW638.81 g/mol
LogP12.88
Rot. Bonds5

About 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole

3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 153283225) has the molecular formula C48H32N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID153283225
Molecular FormulaC48H32N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole
SMILES[2H]c1ccc2c(c1)c1cc(-c3ccc4c5cc([2H])ccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C48H32N2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-40(29-37)50-45-22-12-10-20-41(45)43-26-24-36(32-48(43)50)35-25-27-47-44(31-35)42-21-11-13-23-46(42)49(47)39-18-8-3-9-19-39/h1-32H/i10D,11D
InChIKeyMQVHZVAZACLFSP-MIBQVNFTSA-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 ≤ 500638.81
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408
3-deuterio-9-(3,5-diphenylphenyl)-6-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157215677
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159127106
3-deuterio-9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 153283421
7-phenyl-5-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-b]carbazole
CID 166592002
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole (CID 153283225) is 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole is [2H]c1ccc2c(c1)c1cc(-c3ccc4c5cc([2H])ccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is MQVHZVAZACLFSP-MIBQVNFTSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-40(29-37)50-45-22-12-10-20-41(45)43-26-24-36(32-48(43)50)35-25-27-47-44(31-35)42-21-11-13-23-46(42)49(47)39-18-8-3-9-19-39/h1-32H/i10D,11D.
What are the key properties of 3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole?
3-deuterio-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 638.81 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-6-[6-deuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 153283225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).