N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine

C40H25NO — CID 167183214

IUPACN-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccc3cc4oc5ccccc5c4cc3c2)c2cc3ccccc3c3c2ccc2ccccc23)cc1
InChIInChI=1S/C40H25NO/c1-2-12-30(13-3-1)41(31-20-18-27-25-39-36(23-29(27)22-31)34-16-8-9-17-38(34)42-39)37-24-28-11-5-7-15-33(28)40-32-14-6-4-10-26(32)19-21-35(37)40/h1-25H
InChIKeyWSHARSJBVQAKJJ-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine

N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine (PubChem CID 167183214) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine
PubChem CID167183214
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine
SMILESc1ccc(N(c2ccc3cc4oc5ccccc5c4cc3c2)c2cc3ccccc3c3c2ccc2ccccc23)cc1
InChIInChI=1S/C40H25NO/c1-2-12-30(13-3-1)41(31-20-18-27-25-39-36(23-29(27)22-31)34-16-8-9-17-38(34)42-39)37-24-28-11-5-7-15-33(28)40-32-14-6-4-10-26(32)19-21-35(37)40/h1-25H
InChIKeyWSHARSJBVQAKJJ-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-6-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-9-amine
CID 167182901
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
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
9-N,23-N-di(dibenzofuran-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361145
7-N,17-N-diphenyl-7-N,17-N-bis(1-phenylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 171728091
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-(3-phenylphenyl)dibenzofuran-3-amine
CID 177100565
9-N,23-N-di(phenanthren-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(phenanthren-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetra(phenanthren-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 159337091
8-N,23-N-di(phenanthren-2-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155361439
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841
N-naphthalen-2-yl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-amine
CID 170779635

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine?
The IUPAC name of N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine (CID 167183214) is N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine.
What is the SMILES notation for N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine?
The canonical SMILES for N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine is c1ccc(N(c2ccc3cc4oc5ccccc5c4cc3c2)c2cc3ccccc3c3c2ccc2ccccc23)cc1.
What is the InChIKey of N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine?
The InChIKey is WSHARSJBVQAKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-12-30(13-3-1)41(31-20-18-27-25-39-36(23-29(27)22-31)34-16-8-9-17-38(34)42-39)37-24-28-11-5-7-15-33(28)40-32-14-6-4-10-26(32)19-21-35(37)40/h1-25H.
What are the key properties of N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine?
N-benzo[c]phenanthren-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-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-6-yl-N-phenylnaphtho[2,3-b][1]benzofuran-9-amine is sourced from PubChem (CID 167183214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).