8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole

C44H30N6 — CID 144976402

IUPAC8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole
SMILESC1=CC2c3ccccc3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C(c2ccc3c(c2)c2cnccc2n3-c2ccccc2)=C1
InChIInChI=1S/C44H30N6/c1-4-13-29(14-5-1)42-46-43(30-15-6-2-7-16-30)48-44(47-42)50-38-22-11-10-19-34(38)35-21-12-20-33(41(35)50)31-23-24-39-36(27-31)37-28-45-26-25-40(37)49(39)32-17-8-3-9-18-32/h1-28,35,41H
InChIKeyMLSAFANAOAXWHT-UHFFFAOYSA-N
MW642.77 g/mol
LogP9.95
Rot. Bonds5

About 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole

8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole (PubChem CID 144976402) has the molecular formula C44H30N6 and a molecular weight of 642.77 g/mol. Its IUPAC name is 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole
PubChem CID144976402
Molecular FormulaC44H30N6
Molecular Weight642.77 g/mol
Exact Mass642.25
IUPAC Name8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole
SMILESC1=CC2c3ccccc3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C(c2ccc3c(c2)c2cnccc2n3-c2ccccc2)=C1
InChIInChI=1S/C44H30N6/c1-4-13-29(14-5-1)42-46-43(30-15-6-2-7-16-30)48-44(47-42)50-38-22-11-10-19-34(38)35-21-12-20-33(41(35)50)31-23-24-39-36(27-31)37-28-45-26-25-40(37)49(39)32-17-8-3-9-18-32/h1-28,35,41H
InChIKeyMLSAFANAOAXWHT-UHFFFAOYSA-N
XLogP9.95
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.77
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-3-yl)-9-phenylcarbazol-3-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4b,9b-dihydroindolo[3,2-b]indole
CID 121287021
8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 70661016
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole;8-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylpyrido[4,3-b]indole;5-phenyl-8-(9-phenylcarbazol-3-yl)pyrido[4,3-b]indole
CID 157480501
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602
8-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole;5-phenyl-8-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 161187097
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
5-phenyl-8-[3-[4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-2-yl]phenyl]pyrido[4,3-b]indole
CID 118968780

Frequently Asked Questions

What is the IUPAC name of 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole (CID 144976402) is 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole is C1=CC2c3ccccc3N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2C(c2ccc3c(c2)c2cnccc2n3-c2ccccc2)=C1.
What is the InChIKey of 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is MLSAFANAOAXWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6/c1-4-13-29(14-5-1)42-46-43(30-15-6-2-7-16-30)48-44(47-42)50-38-22-11-10-19-34(38)35-21-12-20-33(41(35)50)31-23-24-39-36(27-31)37-28-45-26-25-40(37)49(39)32-17-8-3-9-18-32/h1-28,35,41H.
What are the key properties of 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole?
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 642.77 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-1-yl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 144976402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).