2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine

C49H34N6 — CID 130452686

IUPAC2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(N(c3ccccc3)c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H34N6/c1-5-20-37(21-6-1)53(38-22-7-2-8-23-38)48-50-47(36-32-33-46-43(34-36)42-29-15-16-30-45(42)54(46)39-24-9-3-10-25-39)51-49(52-48)55(40-26-11-4-12-27-40)44-31-17-19-35-18-13-14-28-41(35)44/h1-34H
InChIKeyDCXJAGUBHDNOJJ-UHFFFAOYSA-N
MW706.85 g/mol
LogP12.73
Rot. Bonds8

About 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine

2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 130452686) has the molecular formula C49H34N6 and a molecular weight of 706.85 g/mol. Its IUPAC name is 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID130452686
Molecular FormulaC49H34N6
Molecular Weight706.85 g/mol
Exact Mass706.28
IUPAC Name2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(N(c3ccccc3)c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H34N6/c1-5-20-37(21-6-1)53(38-22-7-2-8-23-38)48-50-47(36-32-33-46-43(34-36)42-29-15-16-30-45(42)54(46)39-24-9-3-10-25-39)51-49(52-48)55(40-26-11-4-12-27-40)44-31-17-19-35-18-13-14-28-41(35)44/h1-34H
InChIKeyDCXJAGUBHDNOJJ-UHFFFAOYSA-N
XLogP12.73
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359
4-N-naphthalen-1-yl-1-N,1-N-diphenyl-4-N-[4-[3-[3-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 163527476
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 157240940
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657

Frequently Asked Questions

What is the IUPAC name of 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 130452686) is 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine is c1ccc(N(c2ccccc2)c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(N(c3ccccc3)c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DCXJAGUBHDNOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N6/c1-5-20-37(21-6-1)53(38-22-7-2-8-23-38)48-50-47(36-32-33-46-43(34-36)42-29-15-16-30-45(42)54(46)39-24-9-3-10-25-39)51-49(52-48)55(40-26-11-4-12-27-40)44-31-17-19-35-18-13-14-28-41(35)44/h1-34H.
What are the key properties of 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine?
2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 706.85 g/mol, XLogP of 12.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-naphthalen-1-yl-2-N,4-N,4-N-triphenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130452686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).