N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine

C48H30N2O — CID 171399275

IUPACN-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(ccc6c7ccccc7ccc56)c4)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-12-33(13-3-1)50-43-17-8-6-15-40(43)42-30-35(24-28-44(42)50)49(45-18-10-20-47-48(45)41-16-7-9-19-46(41)51-47)34-23-27-37-32(29-34)22-26-38-36-14-5-4-11-31(36)21-25-39(37)38/h1-30H
InChIKeyMWFKUAORXOFGPK-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.61
Rot. Bonds4

About N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine

N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine (PubChem CID 171399275) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
PubChem CID171399275
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC NameN-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(ccc6c7ccccc7ccc56)c4)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-12-33(13-3-1)50-43-17-8-6-15-40(43)42-30-35(24-28-44(42)50)49(45-18-10-20-47-48(45)41-16-7-9-19-46(41)51-47)34-23-27-37-32(29-34)22-26-38-36-14-5-4-11-31(36)21-25-39(37)38/h1-30H
InChIKeyMWFKUAORXOFGPK-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-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-1-yl-N-naphthalen-2-yl-11-phenylbenzo[a]carbazol-8-amine
CID 163743185
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-2-amine
CID 170041494
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594

Frequently Asked Questions

What is the IUPAC name of N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine (CID 171399275) is N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(ccc6c7ccccc7ccc56)c4)c4cccc5oc6ccccc6c45)ccc32)cc1.
What is the InChIKey of N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine?
The InChIKey is MWFKUAORXOFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-12-33(13-3-1)50-43-17-8-6-15-40(43)42-30-35(24-28-44(42)50)49(45-18-10-20-47-48(45)41-16-7-9-19-46(41)51-47)34-23-27-37-32(29-34)22-26-38-36-14-5-4-11-31(36)21-25-39(37)38/h1-30H.
What are the key properties of N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine?
N-chrysen-2-yl-N-dibenzofuran-1-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-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 171399275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).