N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine

C40H25NO — CID 170130998

IUPACN-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3ccc3c5ccccc5ccc43)ccc2c1
InChIInChI=1S/C40H25NO/c1-2-10-28-24-29(18-16-26(28)8-1)41(30-19-21-37-36-12-5-6-15-39(36)42-40(37)25-30)38-14-7-13-32-34-20-17-27-9-3-4-11-31(27)33(34)22-23-35(32)38/h1-25H
InChIKeyDGMZAVFSEKHKLZ-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine

N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine (PubChem CID 170130998) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
PubChem CID170130998
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3ccc3c5ccccc5ccc43)ccc2c1
InChIInChI=1S/C40H25NO/c1-2-10-28-24-29(18-16-26(28)8-1)41(30-19-21-37-36-12-5-6-15-39(36)42-40(37)25-30)38-14-7-13-32-34-20-17-27-9-3-4-11-31(27)33(34)22-23-35(32)38/h1-25H
InChIKeyDGMZAVFSEKHKLZ-UHFFFAOYSA-N
XLogP11.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-3-yl-N-phenanthren-1-yl-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-19-amine
CID 170779480
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-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 165046375
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
N-naphthalen-2-yl-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405743
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 131980093
N-dibenzofuran-3-yl-N-naphthalen-2-yl-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-amine
CID 170779604
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101

Frequently Asked Questions

What is the IUPAC name of N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine?
The IUPAC name of N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine (CID 170130998) is N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine?
The canonical SMILES for N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine is c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3ccc3c5ccccc5ccc43)ccc2c1.
What is the InChIKey of N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine?
The InChIKey is DGMZAVFSEKHKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-10-28-24-29(18-16-26(28)8-1)41(30-19-21-37-36-12-5-6-15-39(36)42-40(37)25-30)38-14-7-13-32-34-20-17-27-9-3-4-11-31(27)33(34)22-23-35(32)38/h1-25H.
What are the key properties of N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine?
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine has a molecular weight of 535.65 g/mol, XLogP of 11.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 170130998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).