N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine

C48H30N2O — CID 170138950

IUPACN-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4ccc4c6ccccc6ccc54)cc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-12-32(13-3-1)50-45-18-8-6-15-39(45)41-25-22-34(30-46(41)50)49(33-23-28-48-43(29-33)42-16-7-9-20-47(42)51-48)44-19-10-17-36-38-24-21-31-11-4-5-14-35(31)37(38)26-27-40(36)44/h1-30H
InChIKeyVCQBXFPYMXNWOS-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.61
Rot. Bonds4

About N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine

N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine (PubChem CID 170138950) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
PubChem CID170138950
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC NameN-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4ccc4c6ccccc6ccc54)cc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-12-32(13-3-1)50-45-18-8-6-15-39(45)41-25-22-34(30-46(41)50)49(33-23-28-48-43(29-33)42-16-7-9-20-47(42)51-48)44-19-10-17-36-38-24-21-31-11-4-5-14-35(31)37(38)26-27-40(36)44/h1-30H
InChIKeyVCQBXFPYMXNWOS-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-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-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-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357236
N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine
CID 167183111
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033858
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904

Frequently Asked Questions

What is the IUPAC name of N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine (CID 170138950) is N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4ccc4c6ccccc6ccc54)cc32)cc1.
What is the InChIKey of N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine?
The InChIKey is VCQBXFPYMXNWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-12-32(13-3-1)50-45-18-8-6-15-39(45)41-25-22-34(30-46(41)50)49(33-23-28-48-43(29-33)42-16-7-9-20-47(42)51-48)44-19-10-17-36-38-24-21-31-11-4-5-14-35(31)37(38)26-27-40(36)44/h1-30H.
What are the key properties of N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine?
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-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-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170138950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).