3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C45H29N5 — CID 58511540

IUPAC3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)50-40-23-13-11-21-36(40)38-29-33(25-27-42(38)50)32-24-26-41-37(28-32)35-20-10-12-22-39(35)49(41)34-18-8-3-9-19-34/h1-29H
InChIKeyKYYFFLQBMZRHNB-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 58511540) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID58511540
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)50-40-23-13-11-21-36(40)38-29-33(25-27-42(38)50)32-24-26-41-37(28-32)35-20-10-12-22-39(35)49(41)34-18-8-3-9-19-34/h1-29H
InChIKeyKYYFFLQBMZRHNB-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

CID 5347569
CID 5347569
CID 168010184
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CID 231656
CID 231656
CID 44344540
CID 44344540
CID 10450609
CID 10450609
CID 167312536
CID 167312536
CID 11248716
CID 11248716
CID 10364891
CID 10364891
CID 10595829
CID 10595829
CID 14948734
CID 14948734
CID 14948735
CID 14948735
CID 14948736
CID 14948736

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 58511540) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is KYYFFLQBMZRHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-14-30(15-5-1)43-46-44(31-16-6-2-7-17-31)48-45(47-43)50-40-23-13-11-21-36(40)38-29-33(25-27-42(38)50)32-24-26-41-37(28-32)35-20-10-12-22-39(35)49(41)34-18-8-3-9-19-34/h1-29H.
What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole 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 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 58511540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).