N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine

C42H25NO2 — CID 167184399

IUPACN-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)ccc1ccc3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3c12
InChIInChI=1S/C42H25NO2/c1-2-8-32-26(7-1)13-15-28-16-14-27-17-18-29(23-37(27)42(28)32)43(30-19-21-35-33-9-3-5-11-38(33)44-40(35)24-30)31-20-22-36-34-10-4-6-12-39(34)45-41(36)25-31/h1-25H
InChIKeyDXNYXVFSDXBWEB-UHFFFAOYSA-N
MW575.67 g/mol
LogP12.41
Rot. Bonds3

About N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine

N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine (PubChem CID 167184399) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
PubChem CID167184399
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC NameN-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)ccc1ccc3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3c12
InChIInChI=1S/C42H25NO2/c1-2-8-32-26(7-1)13-15-28-16-14-27-17-18-29(23-37(27)42(28)32)43(30-19-21-35-33-9-3-5-11-38(33)44-40(35)24-30)31-20-22-36-34-10-4-6-12-39(34)45-41(36)25-31/h1-25H
InChIKeyDXNYXVFSDXBWEB-UHFFFAOYSA-N
XLogP12.41
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087562
N-(18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087784
3-N-dibenzofuran-2-yl-1-N-dibenzofuran-3-yl-3-N-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)-1-N-phenylbenzene-1,3-diamine
CID 170410406
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167181679
N-benzo[g]phenanthren-3-yl-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 167183946
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167184000
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(10-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 177100347
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-dibenzofuran-3-yl-N-[4-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)phenyl]dibenzofuran-3-amine
CID 177100430
N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137135
2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254502

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine?
The IUPAC name of N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine (CID 167184399) is N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine.
What is the SMILES notation for N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine?
The canonical SMILES for N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine is c1ccc2c(c1)ccc1ccc3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3c12.
What is the InChIKey of N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine?
The InChIKey is DXNYXVFSDXBWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-2-8-32-26(7-1)13-15-28-16-14-27-17-18-29(23-37(27)42(28)32)43(30-19-21-35-33-9-3-5-11-38(33)44-40(35)24-30)31-20-22-36-34-10-4-6-12-39(34)45-41(36)25-31/h1-25H.
What are the key properties of N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine?
N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine has a molecular weight of 575.67 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine is sourced from PubChem (CID 167184399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).