N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine

C44H29NO — CID 164748014

IUPACN-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C44H29NO/c1-3-13-30(14-4-1)43-38-20-9-7-17-35(38)36-18-8-10-21-39(36)44(43)31-23-25-33(26-24-31)45(32-15-5-2-6-16-32)34-27-28-42-40(29-34)37-19-11-12-22-41(37)46-42/h1-29H
InChIKeyGSPKLNYGPPPYSU-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine

N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine (PubChem CID 164748014) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
PubChem CID164748014
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C44H29NO/c1-3-13-30(14-4-1)43-38-20-9-7-17-35(38)36-18-8-10-21-39(36)44(43)31-23-25-33(26-24-31)45(32-15-5-2-6-16-32)34-27-28-42-40(29-34)37-19-11-12-22-41(37)46-42/h1-29H
InChIKeyGSPKLNYGPPPYSU-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
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-2-yl-N-[3-[3-(10-phenylphenanthren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 134453715
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,N-diphenyldibenzofuran-2-amine
CID 58038469
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
CID 166033125
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine (CID 164748014) is N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine is c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is GSPKLNYGPPPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-13-30(14-4-1)43-38-20-9-7-17-35(38)36-18-8-10-21-39(36)44(43)31-23-25-33(26-24-31)45(32-15-5-2-6-16-32)34-27-28-42-40(29-34)37-19-11-12-22-41(37)46-42/h1-29H.
What are the key properties of N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine?
N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 164748014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).