9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole

C52H32N6 — CID 156577704

IUPAC9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
SMILESc1ccc(-n2c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3ccc(-n4c5ccccc5c5cccnc54)cc32)cc1
InChIInChI=1S/C52H32N6/c1-2-15-40(16-3-1)57-47-31-39(24-26-43(47)44-27-25-41(32-48(44)57)58-46-19-9-8-17-42(46)45-18-10-28-53-52(45)58)51-55-49(37-22-20-33-11-4-6-13-35(33)29-37)54-50(56-51)38-23-21-34-12-5-7-14-36(34)30-38/h1-32H
InChIKeyJCLDPSZXWHNXSJ-UHFFFAOYSA-N
MW740.87 g/mol
LogP12.77
Rot. Bonds5

About 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole

9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole (PubChem CID 156577704) has the molecular formula C52H32N6 and a molecular weight of 740.87 g/mol. Its IUPAC name is 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
PubChem CID156577704
Molecular FormulaC52H32N6
Molecular Weight740.87 g/mol
Exact Mass740.27
IUPAC Name9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
SMILESc1ccc(-n2c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3ccc(-n4c5ccccc5c5cccnc54)cc32)cc1
InChIInChI=1S/C52H32N6/c1-2-15-40(16-3-1)57-47-31-39(24-26-43(47)44-27-25-41(32-48(44)57)58-46-19-9-8-17-42(46)45-18-10-28-53-52(45)58)51-55-49(37-22-20-33-11-4-6-13-35(33)29-37)54-50(56-51)38-23-21-34-12-5-7-14-36(34)30-38/h1-32H
InChIKeyJCLDPSZXWHNXSJ-UHFFFAOYSA-N
XLogP12.77
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276091
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276047
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577735
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole (CID 156577704) is 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole is c1ccc(-n2c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c3ccc(-n4c5ccccc5c5cccnc54)cc32)cc1.
What is the InChIKey of 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole?
The InChIKey is JCLDPSZXWHNXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6/c1-2-15-40(16-3-1)57-47-31-39(24-26-43(47)44-27-25-41(32-48(44)57)58-46-19-9-8-17-42(46)45-18-10-28-53-52(45)58)51-55-49(37-22-20-33-11-4-6-13-35(33)29-37)54-50(56-51)38-23-21-34-12-5-7-14-36(34)30-38/h1-32H.
What are the key properties of 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole?
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole has a molecular weight of 740.87 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156577704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).