N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine

C55H45N5 — CID 123403925

IUPACN-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine
SMILESC=CC=CCN(c1ccc(C2=CC3c4ccccc4N(c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)C3C=C2)cc1C)c1cccc2ccccc12
InChIInChI=1S/C55H45N5/c1-3-4-15-35-59(50-26-16-22-39-17-11-12-23-46(39)50)49-33-29-43(36-38(49)2)44-30-34-52-48(37-44)47-24-13-14-25-51(47)60(52)45-31-27-42(28-32-45)55-57-53(40-18-7-5-8-19-40)56-54(58-55)41-20-9-6-10-21-41/h3-34,36-37,48,52,55H,1,35H2,2H3,(H,56,57,58)
InChIKeyDTGPZZPMZUHMRU-UHFFFAOYSA-N
MW776.00 g/mol
LogP12.78
Rot. Bonds10

About N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine

N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine (PubChem CID 123403925) has the molecular formula C55H45N5 and a molecular weight of 776.00 g/mol. Its IUPAC name is N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine
PubChem CID123403925
Molecular FormulaC55H45N5
Molecular Weight776.00 g/mol
Exact Mass775.37
IUPAC NameN-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine
SMILESC=CC=CCN(c1ccc(C2=CC3c4ccccc4N(c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)C3C=C2)cc1C)c1cccc2ccccc12
InChIInChI=1S/C55H45N5/c1-3-4-15-35-59(50-26-16-22-39-17-11-12-23-46(39)50)49-33-29-43(36-38(49)2)44-30-34-52-48(37-44)47-24-13-14-25-51(47)60(52)45-31-27-42(28-32-45)55-57-53(40-18-7-5-8-19-40)56-54(58-55)41-20-9-6-10-21-41/h3-34,36-37,48,52,55H,1,35H2,2H3,(H,56,57,58)
InChIKeyDTGPZZPMZUHMRU-UHFFFAOYSA-N
XLogP12.78
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 512.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine with MolForge

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Related Compounds

4-[2-[4-(6a,11a-dihydro-[1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
CID 145328141
3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369059
1-N,3-N-dinaphthalen-1-yl-3-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 89030421
N-[2-[3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]phenyl]phenyl]-N-phenylpyridin-3-amine
CID 144640109
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-propan-2-yl-9H-carbazole
CID 118369096
3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole
CID 162048900
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine?
The IUPAC name of N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine (CID 123403925) is N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine?
The canonical SMILES for N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine is C=CC=CCN(c1ccc(C2=CC3c4ccccc4N(c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)C3C=C2)cc1C)c1cccc2ccccc12.
What is the InChIKey of N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine?
The InChIKey is DTGPZZPMZUHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N5/c1-3-4-15-35-59(50-26-16-22-39-17-11-12-23-46(39)50)49-33-29-43(36-38(49)2)44-30-34-52-48(37-44)47-24-13-14-25-51(47)60(52)45-31-27-42(28-32-45)55-57-53(40-18-7-5-8-19-40)56-54(58-55)41-20-9-6-10-21-41/h3-34,36-37,48,52,55H,1,35H2,2H3,(H,56,57,58).
What are the key properties of N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine?
N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine has a molecular weight of 776.00 g/mol, XLogP of 12.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-2-methylphenyl]-N-penta-2,4-dienylnaphthalen-1-amine is sourced from PubChem (CID 123403925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).