N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine

C40H25NO — CID 167184155

IUPACN-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cc3ccccc3c3c2oc2ccccc23)cc1
InChIInChI=1S/C40H25NO/c1-2-14-29(15-3-1)41(36-24-27-13-5-7-17-31(27)39-34-20-10-11-21-37(34)42-40(36)39)35-25-28-23-22-26-12-4-6-16-30(26)38(28)33-19-9-8-18-32(33)35/h1-25H
InChIKeyLDJFFXQEOAYBBD-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.67
Rot. Bonds3

About N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine

N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine (PubChem CID 167184155) 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-6-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
PubChem CID167184155
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC NameN-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cc3ccccc3c3c2oc2ccccc23)cc1
InChIInChI=1S/C40H25NO/c1-2-14-29(15-3-1)41(36-24-27-13-5-7-17-31(27)39-34-20-10-11-21-37(34)42-40(36)39)35-25-28-23-22-26-12-4-6-16-30(26)38(28)33-19-9-8-18-32(33)35/h1-25H
InChIKeyLDJFFXQEOAYBBD-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-11-amine
CID 167184163
6-N,11-N-di(phenanthren-9-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262487
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-10-yl)-4-phenylanilino]naphthalen-1-yl]naphthalen-1-yl]-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 153468589
N-phenyl-N-[4-[4-(N-phenylanilino)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-10-amine
CID 153468543
N-benzo[c]phenanthren-5-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 167182090
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 163468456
N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
CID 167182283
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167183208
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]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;N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]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;N-(4-phenylphenyl)-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]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-10-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]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-10-amine
CID 162147906
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-10-yl)-4-phenylanilino]naphthalen-1-yl]naphthalen-1-yl]-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-10-amine
CID 153468619
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170030751
6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155361637

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine (CID 167184155) is N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine is c1ccc(N(c2cc3ccc4ccccc4c3c3ccccc23)c2cc3ccccc3c3c2oc2ccccc23)cc1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine?
The InChIKey is LDJFFXQEOAYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-14-29(15-3-1)41(36-24-27-13-5-7-17-31(27)39-34-20-10-11-21-37(34)42-40(36)39)35-25-28-23-22-26-12-4-6-16-30(26)38(28)33-19-9-8-18-32(33)35/h1-25H.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine?
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-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-6-amine is sourced from PubChem (CID 167184155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).