N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine

C48H30N2O — CID 166845763

IUPACN-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-12-31(13-3-1)50-45-20-10-8-18-40(45)41-26-23-33(29-46(41)50)49(34-24-27-43-42-19-9-11-21-47(42)51-48(43)30-34)32-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)44(39)28-32/h1-30H
InChIKeyAIFKRPGYWKWDAV-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.61
Rot. Bonds4

About N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine

N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine (PubChem CID 166845763) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
PubChem CID166845763
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC NameN-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-12-31(13-3-1)50-45-20-10-8-18-40(45)41-26-23-33(29-46(41)50)49(34-24-27-43-42-19-9-11-21-47(42)51-48(43)30-34)32-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)44(39)28-32/h1-30H
InChIKeyAIFKRPGYWKWDAV-UHFFFAOYSA-N
XLogP13.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-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

N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
CID 159956564
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
CID 137471523
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-yl)-N,9-diphenylcarbazol-2-amine
CID 170779093
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174294004

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine (CID 166845763) is N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine?
The InChIKey is AIFKRPGYWKWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-12-31(13-3-1)50-45-20-10-8-18-40(45)41-26-23-33(29-46(41)50)49(34-24-27-43-42-19-9-11-21-47(42)51-48(43)30-34)32-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)44(39)28-32/h1-30H.
What are the key properties of N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine?
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine has a molecular weight of 650.78 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine is sourced from PubChem (CID 166845763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).