4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine

C53H39IN9OP — CID 88560240

IUPAC4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESO=P(c1nc(C2=IC=CCC2)nc(N(c2ccccc2)c2ccccc2)n1)(c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C53H39IN9OP/c64-65(63-46-35-18-16-32-43(46)44-33-17-19-36-47(44)63,52-57-48(38-22-6-1-7-23-38)55-50(59-52)61(39-24-8-2-9-25-39)40-26-10-3-11-27-40)53-58-49(45-34-20-21-37-54-45)56-51(60-53)62(41-28-12-4-13-29-41)42-30-14-5-15-31-42/h1-19,21-33,35-37H,20,34H2
InChIKeyHKAPZHHWPUUSHD-UHFFFAOYSA-N
MW975.84 g/mol
LogP12.35
Rot. Bonds11

About 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine

4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine (PubChem CID 88560240) has the molecular formula C53H39IN9OP and a molecular weight of 975.84 g/mol. Its IUPAC name is 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
PubChem CID88560240
Molecular FormulaC53H39IN9OP
Molecular Weight975.84 g/mol
Exact Mass975.21
IUPAC Name4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
SMILESO=P(c1nc(C2=IC=CCC2)nc(N(c2ccccc2)c2ccccc2)n1)(c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C53H39IN9OP/c64-65(63-46-35-18-16-32-43(46)44-33-17-19-36-47(44)63,52-57-48(38-22-6-1-7-23-38)55-50(59-52)61(39-24-8-2-9-25-39)40-26-10-3-11-27-40)53-58-49(45-34-20-21-37-54-45)56-51(60-53)62(41-28-12-4-13-29-41)42-30-14-5-15-31-42/h1-19,21-33,35-37H,20,34H2
InChIKeyHKAPZHHWPUUSHD-UHFFFAOYSA-N
XLogP12.35
TPSA105.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.84
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine
CID 148569527
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
2,5-di(carbazol-9-yl)-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-4-N-(1λ3-iodacyclohexa-1,3,5-trien-2-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 142508110
N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine
CID 118528315
N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 163867138
10-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121286300
9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine
CID 152968565
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507
(4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid
CID 134535663
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
CID 132993147
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254

Frequently Asked Questions

What is the IUPAC name of 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine (CID 88560240) is 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine is O=P(c1nc(C2=IC=CCC2)nc(N(c2ccccc2)c2ccccc2)n1)(c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is HKAPZHHWPUUSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39IN9OP/c64-65(63-46-35-18-16-32-43(46)44-33-17-19-36-47(44)63,52-57-48(38-22-6-1-7-23-38)55-50(59-52)61(39-24-8-2-9-25-39)40-26-10-3-11-27-40)53-58-49(45-34-20-21-37-54-45)56-51(60-53)62(41-28-12-4-13-29-41)42-30-14-5-15-31-42/h1-19,21-33,35-37H,20,34H2.
What are the key properties of 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine?
4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 975.84 g/mol, XLogP of 12.35, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[carbazol-9-yl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]phosphoryl]-6-(1λ3-iodacyclohexa-1,5-dien-2-yl)-N,N-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 88560240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).