9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine

C41H27N7 — CID 164958073

IUPAC9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-n3c4ccccc4c4cnc(N(c5ccccc5)c5ccccc5)nc43)n2)cc1
InChIInChI=1S/C41H27N7/c1-4-16-29(17-5-1)37-43-38(34-25-14-18-28-15-10-11-23-32(28)34)45-41(44-37)48-36-26-13-12-24-33(36)35-27-42-40(46-39(35)48)47(30-19-6-2-7-20-30)31-21-8-3-9-22-31/h1-27H
InChIKeyBLEXWAMBMRTWHY-UHFFFAOYSA-N
MW617.72 g/mol
LogP9.72
Rot. Bonds6

About 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine

9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine (PubChem CID 164958073) has the molecular formula C41H27N7 and a molecular weight of 617.72 g/mol. Its IUPAC name is 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine.

Molecular Properties

Compound Name9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine
PubChem CID164958073
Molecular FormulaC41H27N7
Molecular Weight617.72 g/mol
Exact Mass617.23
IUPAC Name9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-n3c4ccccc4c4cnc(N(c5ccccc5)c5ccccc5)nc43)n2)cc1
InChIInChI=1S/C41H27N7/c1-4-16-29(17-5-1)37-43-38(34-25-14-18-28-15-10-11-23-32(28)34)45-41(44-37)48-36-26-13-12-24-33(36)35-27-42-40(46-39(35)48)47(30-19-6-2-7-20-30)31-21-8-3-9-22-31/h1-27H
InChIKeyBLEXWAMBMRTWHY-UHFFFAOYSA-N
XLogP9.72
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.72
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
CID 126690357
9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine
CID 170204693
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine
CID 148569527
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
5-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 134427122
4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline
CID 166974958
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
CID 155450728
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 164807780
9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170106843

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine?
The IUPAC name of 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine (CID 164958073) is 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine.
What is the SMILES notation for 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine?
The canonical SMILES for 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-n3c4ccccc4c4cnc(N(c5ccccc5)c5ccccc5)nc43)n2)cc1.
What is the InChIKey of 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine?
The InChIKey is BLEXWAMBMRTWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N7/c1-4-16-29(17-5-1)37-43-38(34-25-14-18-28-15-10-11-23-32(28)34)45-41(44-37)48-36-26-13-12-24-33(36)35-27-42-40(46-39(35)48)47(30-19-6-2-7-20-30)31-21-8-3-9-22-31/h1-27H.
What are the key properties of 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine?
9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine has a molecular weight of 617.72 g/mol, XLogP of 9.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylpyrimido[4,5-b]indol-2-amine is sourced from PubChem (CID 164958073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).