3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole

C54H35N3 — CID 59307187

IUPAC3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6[nH]c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C54H35N3/c1-3-11-41(12-4-1)56-51-17-9-7-15-43(51)47-33-38(25-29-53(47)56)36-21-19-35(20-22-36)37-23-27-49-45(31-37)46-32-39(24-28-50(46)55-49)40-26-30-54-48(34-40)44-16-8-10-18-52(44)57(54)42-13-5-2-6-14-42/h1-34,55H
InChIKeyDXTDMPDCXANJOC-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.52
Rot. Bonds5

About 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole

3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole (PubChem CID 59307187) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
PubChem CID59307187
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6[nH]c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C54H35N3/c1-3-11-41(12-4-1)56-51-17-9-7-15-43(51)47-33-38(25-29-53(47)56)36-21-19-35(20-22-36)37-23-27-49-45(31-37)46-32-39(24-28-50(46)55-49)40-26-30-54-48(34-40)44-16-8-10-18-52(44)57(54)42-13-5-2-6-14-42/h1-34,55H
InChIKeyDXTDMPDCXANJOC-UHFFFAOYSA-N
XLogP14.52
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
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-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
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-(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-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
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
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole (CID 59307187) is 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6[nH]c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c6c5)cc4)ccc32)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole?
The InChIKey is DXTDMPDCXANJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-11-41(12-4-1)56-51-17-9-7-15-43(51)47-33-38(25-29-53(47)56)36-21-19-35(20-22-36)37-23-27-49-45(31-37)46-32-39(24-28-50(46)55-49)40-26-30-54-48(34-40)44-16-8-10-18-52(44)57(54)42-13-5-2-6-14-42/h1-34,55H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole?
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 59307187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).