N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine

C48H30N2O — CID 170138972

IUPACN-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4cccc5c4ccc4c6ccccc6ccc54)c4cccc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-13-32(14-3-1)49-43-20-8-6-16-38(43)42-30-33(25-29-45(42)49)50(46-22-11-19-41-40-17-7-9-23-47(40)51-48(41)46)44-21-10-18-35-37-26-24-31-12-4-5-15-34(31)36(37)27-28-39(35)44/h1-30H
InChIKeyBFXIMQVWEWYFCO-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.61
Rot. Bonds4

About N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine

N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine (PubChem CID 170138972) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
PubChem CID170138972
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC NameN-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4cccc5c4ccc4c6ccccc6ccc54)c4cccc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-13-32(14-3-1)49-43-20-8-6-16-38(43)42-30-33(25-29-45(42)49)50(46-22-11-19-41-40-17-7-9-23-47(40)51-48(41)46)44-21-10-18-35-37-26-24-31-12-4-5-15-34(31)36(37)27-28-39(35)44/h1-30H
InChIKeyBFXIMQVWEWYFCO-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-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 166997166
N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
CID 167278181
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
CID 58510953
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606

Frequently Asked Questions

What is the IUPAC name of N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine (CID 170138972) is N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4cccc5c4ccc4c6ccccc6ccc54)c4cccc5c4oc4ccccc45)ccc32)cc1.
What is the InChIKey of N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine?
The InChIKey is BFXIMQVWEWYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-13-32(14-3-1)49-43-20-8-6-16-38(43)42-30-33(25-29-45(42)49)50(46-22-11-19-41-40-17-7-9-23-47(40)51-48(41)46)44-21-10-18-35-37-26-24-31-12-4-5-15-34(31)36(37)27-28-39(35)44/h1-30H.
What are the key properties of N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine?
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-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-4-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170138972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).