3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole

C46H30N4 — CID 130326868

IUPAC3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccnc(-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccn5)c4)ccc32)cc1
InChIInChI=1S/C46H30N4/c1-2-10-35(11-3-1)49-45-17-9-6-14-39(45)40-28-32(20-23-46(40)49)34-25-27-48-42(30-34)41-29-33(24-26-47-41)31-18-21-36(22-19-31)50-43-15-7-4-12-37(43)38-13-5-8-16-44(38)50/h1-30H
InChIKeyYDIGIVSYWRPDJB-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole

3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole (PubChem CID 130326868) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
PubChem CID130326868
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccnc(-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccn5)c4)ccc32)cc1
InChIInChI=1S/C46H30N4/c1-2-10-35(11-3-1)49-45-17-9-6-14-39(45)40-28-32(20-23-46(40)49)34-25-27-48-42(30-34)41-29-33(24-26-47-41)31-18-21-36(22-19-31)50-43-15-7-4-12-37(43)38-13-5-8-16-44(38)50/h1-30H
InChIKeyYDIGIVSYWRPDJB-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-pyridin-2-ylphenyl)carbazole
CID 118967167
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-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole (CID 130326868) is 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccnc(-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccn5)c4)ccc32)cc1.
What is the InChIKey of 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole?
The InChIKey is YDIGIVSYWRPDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-2-10-35(11-3-1)49-45-17-9-6-14-39(45)40-28-32(20-23-46(40)49)34-25-27-48-42(30-34)41-29-33(24-26-47-41)31-18-21-36(22-19-31)50-43-15-7-4-12-37(43)38-13-5-8-16-44(38)50/h1-30H.
What are the key properties of 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole?
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 130326868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).