9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C50H33N5 — CID 164843456

IUPAC9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc3)nc(-c3cccc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/C50H33N5/c1-3-11-38(12-4-1)48-52-49(54-50(53-48)41-14-9-13-40(33-41)36-29-31-51-32-30-36)39-27-23-35(24-28-39)34-21-25-37(26-22-34)43-18-10-20-46-47(43)44-17-7-8-19-45(44)55(46)42-15-5-2-6-16-42/h1-33H
InChIKeyKIQNHRKVRGKDPI-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.37
Rot. Bonds7

About 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 164843456) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID164843456
Molecular FormulaC50H33N5
Molecular Weight703.85 g/mol
Exact Mass703.27
IUPAC Name9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc3)nc(-c3cccc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/C50H33N5/c1-3-11-38(12-4-1)48-52-49(54-50(53-48)41-14-9-13-40(33-41)36-29-31-51-32-30-36)39-27-23-35(24-28-39)34-21-25-37(26-22-34)43-18-10-20-46-47(43)44-17-7-8-19-45(44)55(46)42-15-5-2-6-16-42/h1-33H
InChIKeyKIQNHRKVRGKDPI-UHFFFAOYSA-N
XLogP12.37
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole with MolForge

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Related Compounds

4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole
CID 118299151
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139496806
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
9-[4-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;9-[4-[4-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;4-[3-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;9-[5-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;9-[4-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole;9-[4-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole
CID 157377595
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165151261

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 164843456) is 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc3)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.
What is the InChIKey of 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is KIQNHRKVRGKDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-3-11-38(12-4-1)48-52-49(54-50(53-48)41-14-9-13-40(33-41)36-29-31-51-32-30-36)39-27-23-35(24-28-39)34-21-25-37(26-22-34)43-18-10-20-46-47(43)44-17-7-8-19-45(44)55(46)42-15-5-2-6-16-42/h1-33H.
What are the key properties of 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 703.85 g/mol, XLogP of 12.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 164843456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).