9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole

C46H30N4 — CID 56943928

IUPAC9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc5)cn4)ccc32)cc1
InChIInChI=1S/C46H30N4/c1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(21-25-45(39)49)41-23-19-33(29-47-41)34-20-24-42(48-30-34)32-22-26-46-40(28-32)38-16-8-10-18-44(38)50(46)36-13-5-2-6-14-36/h1-30H
InChIKeyDFXUXXRFKMRLRF-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole

9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole (PubChem CID 56943928) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
PubChem CID56943928
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc5)cn4)ccc32)cc1
InChIInChI=1S/C46H30N4/c1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(21-25-45(39)49)41-23-19-33(29-47-41)34-20-24-42(48-30-34)32-22-26-46-40(28-32)38-16-8-10-18-44(38)50(46)36-13-5-2-6-14-36/h1-30H
InChIKeyDFXUXXRFKMRLRF-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

9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
CID 140818788
trimethyl-[2-(9-phenylcarbazol-3-yl)-5-propan-2-yl-4-pyridinyl]silane
CID 140719743
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
CID 134531069
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-phenyl-2-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]carbazole
CID 147817509
9-phenyl-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-b]indole
CID 118403810
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 118699054
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole?
The IUPAC name of 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole (CID 56943928) is 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc5)cn4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole?
The InChIKey is DFXUXXRFKMRLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)39-27-31(21-25-45(39)49)41-23-19-33(29-47-41)34-20-24-42(48-30-34)32-22-26-46-40(28-32)38-16-8-10-18-44(38)50(46)36-13-5-2-6-14-36/h1-30H.
What are the key properties of 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole?
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole 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 9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 56943928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).