9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole

C46H32N4 — CID 71013433

IUPAC9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
SMILESC1=Cc2c(n(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)n4)c3)c3ccccc23)CC1
InChIInChI=1S/C46H32N4/c1-5-25-43-35(17-1)36-18-2-6-26-44(36)49(43)33-15-9-13-31(29-33)39-21-11-23-41(47-39)42-24-12-22-40(48-42)32-14-10-16-34(30-32)50-45-27-7-3-19-37(45)38-20-4-8-28-46(38)50/h1-7,9-27,29-30H,8,28H2
InChIKeySYFRFIBTQLLCLJ-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.48
Rot. Bonds5

About 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole

9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole (PubChem CID 71013433) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
PubChem CID71013433
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
SMILESC1=Cc2c(n(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)n4)c3)c3ccccc23)CC1
InChIInChI=1S/C46H32N4/c1-5-25-43-35(17-1)36-18-2-6-26-44(36)49(43)33-15-9-13-31(29-33)39-21-11-23-41(47-39)42-24-12-22-40(48-42)32-14-10-16-34(30-32)50-45-27-7-3-19-37(45)38-20-4-8-28-46(38)50/h1-7,9-27,29-30H,8,28H2
InChIKeySYFRFIBTQLLCLJ-UHFFFAOYSA-N
XLogP11.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
CID 166931652
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216707
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[3-[6-[5-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-4-phenyl-2-pyridinyl]phenyl]carbazole
CID 138613107
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
2-N-(3-carbazol-9-ylphenyl)-1-N-[3-(1,2-dihydrocarbazol-9-yl)phenyl]benzene-1,2-diamine
CID 66828059

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole (CID 71013433) is 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole is C1=Cc2c(n(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)n4)c3)c3ccccc23)CC1.
What is the InChIKey of 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The InChIKey is SYFRFIBTQLLCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-5-25-43-35(17-1)36-18-2-6-26-44(36)49(43)33-15-9-13-31(29-33)39-21-11-23-41(47-39)42-24-12-22-40(48-42)32-14-10-16-34(30-32)50-45-27-7-3-19-37(45)38-20-4-8-28-46(38)50/h1-7,9-27,29-30H,8,28H2.
What are the key properties of 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole?
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole has a molecular weight of 640.79 g/mol, XLogP of 11.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 71013433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).