3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole

C48H30N2 — CID 126611340

IUPAC3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc32)cc#1
InChIInChI=1S/C48H30N2/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-27-40(28-24-36)50-46-18-10-8-16-42(46)44-32-38(26-30-48(44)50)37-25-29-47-43(31-37)41-15-7-9-17-45(41)49(47)39-13-5-2-6-14-39/h1,3-5,7-32H
InChIKeyUFGLYKKHHLTRTR-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.48
Rot. Bonds5

About 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole

3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 126611340) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
PubChem CID126611340
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc32)cc#1
InChIInChI=1S/C48H30N2/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-27-40(28-24-36)50-46-18-10-8-16-42(46)44-32-38(26-30-48(44)50)37-25-29-47-43(31-37)41-15-7-9-17-45(41)49(47)39-13-5-2-6-14-39/h1,3-5,7-32H
InChIKeyUFGLYKKHHLTRTR-UHFFFAOYSA-N
XLogP12.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
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
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356

Frequently Asked Questions

What is the IUPAC name of 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole (CID 126611340) is 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc32)cc#1.
What is the InChIKey of 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is UFGLYKKHHLTRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-27-40(28-24-36)50-46-18-10-8-16-42(46)44-32-38(26-30-48(44)50)37-25-29-47-43(31-37)41-15-7-9-17-45(41)49(47)39-13-5-2-6-14-39/h1,3-5,7-32H.
What are the key properties of 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole?
3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 634.78 g/mol, XLogP of 12.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 126611340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).