N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine

C40H25NO — CID 167184163

IUPACN-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3oc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C40H25NO/c1-2-13-29(14-3-1)41(34-19-10-20-36-40(34)39-31-16-7-5-12-27(31)23-24-37(39)42-36)35-25-28-22-21-26-11-4-6-15-30(26)38(28)33-18-9-8-17-32(33)35/h1-25H
InChIKeyYBGCADTWXQQERY-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine

N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 167184163) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine
PubChem CID167184163
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3oc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C40H25NO/c1-2-13-29(14-3-1)41(34-19-10-20-36-40(34)39-31-16-7-5-12-27(31)23-24-37(39)42-36)35-25-28-22-21-26-11-4-6-15-30(26)38(28)33-18-9-8-17-32(33)35/h1-25H
InChIKeyYBGCADTWXQQERY-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-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
CID 167184155
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 167183317
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 167182090
8,9-dimethyl-N-phenyl-N-(12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-1-amine
CID 145407934
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167183208
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468588
N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 167183035
N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468639
N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine
CID 167184430
N-[4-(4-chlorophenyl)phenyl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468544
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine (CID 167184163) is N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine is c1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3oc4ccc5ccccc5c4c23)cc1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is YBGCADTWXQQERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-13-29(14-3-1)41(34-19-10-20-36-40(34)39-31-16-7-5-12-27(31)23-24-37(39)42-36)35-25-28-22-21-26-11-4-6-15-30(26)38(28)33-18-9-8-17-32(33)35/h1-25H.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine?
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-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-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 167184163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).