N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine

C60H37NOS — CID 165064367

IUPACN-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5cc(-c6cccc7c6sc6c7ccc7oc8ccccc8c76)ccc54)c3)cc2)cc1
InChIInChI=1S/C60H37NOS/c1-2-10-38(11-3-1)39-22-27-45(28-23-39)61(46-29-24-41(25-30-46)49-16-8-13-40-12-4-5-14-48(40)49)47-31-33-51-44(37-47)21-20-42-36-43(26-32-50(42)51)52-17-9-18-53-54-34-35-57-58(60(54)63-59(52)53)55-15-6-7-19-56(55)62-57/h1-37H
InChIKeyLIRIHBZKMDICHC-UHFFFAOYSA-N
MW820.03 g/mol
LogP17.88
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine

N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine (PubChem CID 165064367) has the molecular formula C60H37NOS and a molecular weight of 820.03 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine
PubChem CID165064367
Molecular FormulaC60H37NOS
Molecular Weight820.03 g/mol
Exact Mass819.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5cc(-c6cccc7c6sc6c7ccc7oc8ccccc8c76)ccc54)c3)cc2)cc1
InChIInChI=1S/C60H37NOS/c1-2-10-38(11-3-1)39-22-27-45(28-23-39)61(46-29-24-41(25-30-46)49-16-8-13-40-12-4-5-14-48(40)49)47-31-33-51-44(37-47)21-20-42-36-43(26-32-50(42)51)52-17-9-18-53-54-34-35-57-58(60(54)63-59(52)53)55-15-6-7-19-56(55)62-57/h1-37H
InChIKeyLIRIHBZKMDICHC-UHFFFAOYSA-N
XLogP17.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.03
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine with MolForge

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097
N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 165037303
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
CID 170030516
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 161255866
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3-phenylaniline
CID 170031800
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
CID 176810219

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine (CID 165064367) is N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(ccc5cc(-c6cccc7c6sc6c7ccc7oc8ccccc8c76)ccc54)c3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine?
The InChIKey is LIRIHBZKMDICHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NOS/c1-2-10-38(11-3-1)39-22-27-45(28-23-39)61(46-29-24-41(25-30-46)49-16-8-13-40-12-4-5-14-48(40)49)47-31-33-51-44(37-47)21-20-42-36-43(26-32-50(42)51)52-17-9-18-53-54-34-35-57-58(60(54)63-59(52)53)55-15-6-7-19-56(55)62-57/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine?
N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine has a molecular weight of 820.03 g/mol, XLogP of 17.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-7-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 165064367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).