N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine

C48H30N2O — CID 170138971

IUPACN-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(N(c4cccc5c4oc4ccccc45)c4cccc5ccc6c7ccccc7ccc6c45)c32)cc1
InChIInChI=1S/C48H30N2O/c1-2-15-33(16-3-1)49-41-22-8-6-18-36(41)39-20-11-24-43(47(39)49)50(44-25-12-21-40-37-19-7-9-26-45(37)51-48(40)44)42-23-10-14-32-28-29-35-34-17-5-4-13-31(34)27-30-38(35)46(32)42/h1-30H
InChIKeyYVCLDYZPXMWLFW-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.61
Rot. Bonds4

About N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine

N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine (PubChem CID 170138971) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine.

Molecular Properties

Compound NameN-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine
PubChem CID170138971
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC NameN-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(N(c4cccc5c4oc4ccccc45)c4cccc5ccc6c7ccccc7ccc6c45)c32)cc1
InChIInChI=1S/C48H30N2O/c1-2-15-33(16-3-1)49-41-22-8-6-18-36(41)39-20-11-24-43(47(39)49)50(44-25-12-21-40-37-19-7-9-26-45(37)51-48(40)44)42-23-10-14-32-28-29-35-34-17-5-4-13-31(34)27-30-38(35)46(32)42/h1-30H
InChIKeyYVCLDYZPXMWLFW-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'}

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Related Compounds

N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721890
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine
CID 170299555
N-naphthalen-1-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168782154
N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine
CID 177121353
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405637
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298442
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168781470
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
CID 167278181
3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 163949527

Frequently Asked Questions

What is the IUPAC name of N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine?
The IUPAC name of N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine (CID 170138971) is N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine.
What is the SMILES notation for N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine?
The canonical SMILES for N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine is c1ccc(-n2c3ccccc3c3cccc(N(c4cccc5c4oc4ccccc45)c4cccc5ccc6c7ccccc7ccc6c45)c32)cc1.
What is the InChIKey of N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine?
The InChIKey is YVCLDYZPXMWLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-15-33(16-3-1)49-41-22-8-6-18-36(41)39-20-11-24-43(47(39)49)50(44-25-12-21-40-37-19-7-9-26-45(37)51-48(40)44)42-23-10-14-32-28-29-35-34-17-5-4-13-31(34)27-30-38(35)46(32)42/h1-30H.
What are the key properties of N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine?
N-chrysen-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-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-4-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine is sourced from PubChem (CID 170138971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).