9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole

C48H39N5 — CID 129074581

IUPAC9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole
SMILESC1=C(C2NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3)N2)CNC(n2c3cc(-c4ccccc4)ccc3c3c4ccccc4ccc32)=C1
InChIInChI=1S/C48H39N5/c1-4-12-32(13-5-1)34-20-22-37(23-21-34)47-50-46(36-17-8-3-9-18-36)51-48(52-47)39-26-29-44(49-31-39)53-42-28-25-35-16-10-11-19-40(35)45(42)41-27-24-38(30-43(41)53)33-14-6-2-7-15-33/h1-30,46-52H,31H2
InChIKeyCNLDKOYGPUTDNW-UHFFFAOYSA-N
MW685.88 g/mol
LogP10.12
Rot. Bonds6

About 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole

9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole (PubChem CID 129074581) has the molecular formula C48H39N5 and a molecular weight of 685.88 g/mol. Its IUPAC name is 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole.

Molecular Properties

Compound Name9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole
PubChem CID129074581
Molecular FormulaC48H39N5
Molecular Weight685.88 g/mol
Exact Mass685.32
IUPAC Name9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole
SMILESC1=C(C2NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3)N2)CNC(n2c3cc(-c4ccccc4)ccc3c3c4ccccc4ccc32)=C1
InChIInChI=1S/C48H39N5/c1-4-12-32(13-5-1)34-20-22-37(23-21-34)47-50-46(36-17-8-3-9-18-36)51-48(52-47)39-26-29-44(49-31-39)53-42-28-25-35-16-10-11-19-40(35)45(42)41-27-24-38(30-43(41)53)33-14-6-2-7-15-33/h1-30,46-52H,31H2
InChIKeyCNLDKOYGPUTDNW-UHFFFAOYSA-N
XLogP10.12
TPSA53.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.88
LogP ≤ 510.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazinan-2-yl)-2-pyridinyl]-9-phenylbenzo[c]carbazole
CID 129074579
7-(3-bromo-1,2-dihydropyridin-6-yl)benzo[c]carbazole
CID 129074614
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
7-[2-[2,4-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole
CID 129074227
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole
CID 90269684
N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
30-[3-(3-phenyl-1,2-dihydroquinoxalin-2-yl)-1,2-dihydropyridin-6-yl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23(28),24,26-tetradecaene
CID 129200038
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
7-naphthalen-1-yl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 145362204

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole?
The IUPAC name of 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole (CID 129074581) is 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole.
What is the SMILES notation for 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole?
The canonical SMILES for 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole is C1=C(C2NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3)N2)CNC(n2c3cc(-c4ccccc4)ccc3c3c4ccccc4ccc32)=C1.
What is the InChIKey of 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole?
The InChIKey is CNLDKOYGPUTDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N5/c1-4-12-32(13-5-1)34-20-22-37(23-21-34)47-50-46(36-17-8-3-9-18-36)51-48(52-47)39-26-29-44(49-31-39)53-42-28-25-35-16-10-11-19-40(35)45(42)41-27-24-38(30-43(41)53)33-14-6-2-7-15-33/h1-30,46-52H,31H2.
What are the key properties of 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole?
9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole has a molecular weight of 685.88 g/mol, XLogP of 10.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-1,2-dihydropyridin-6-yl]benzo[c]carbazole is sourced from PubChem (CID 129074581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).