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

C45H29N5 — CID 176837753

IUPAC9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-3-16-30(17-4-1)32-24-15-25-37(42(32)49-38-26-11-7-20-33(38)34-21-8-12-27-39(34)49)44-46-43(31-18-5-2-6-19-31)47-45(48-44)50-40-28-13-9-22-35(40)36-23-10-14-29-41(36)50/h1-29H
InChIKeyXBPRLRRKMZZPOF-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

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

9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 176837753) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID176837753
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-3-16-30(17-4-1)32-24-15-25-37(42(32)49-38-26-11-7-20-33(38)34-21-8-12-27-39(34)49)44-46-43(31-18-5-2-6-19-31)47-45(48-44)50-40-28-13-9-22-35(40)36-23-10-14-29-41(36)50/h1-29H
InChIKeyXBPRLRRKMZZPOF-UHFFFAOYSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168835045
9-(2,6-diphenylphenyl)-14-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-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 167154514
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 167168647
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
CID 176765501
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 176837753) is 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is XBPRLRRKMZZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-3-16-30(17-4-1)32-24-15-25-37(42(32)49-38-26-11-7-20-33(38)34-21-8-12-27-39(34)49)44-46-43(31-18-5-2-6-19-31)47-45(48-44)50-40-28-13-9-22-35(40)36-23-10-14-29-41(36)50/h1-29H.
What are the key properties of 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 639.76 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 176837753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).