N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine

C44H29NO2 — CID 166986582

IUPACN-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4Oc4cccc6cccc(c46)O5)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H29NO2/c1-3-12-30(13-4-1)35-28-29-36(38-19-8-7-18-37(35)38)31-24-26-34(27-25-31)45(33-16-5-2-6-17-33)39-20-11-23-42-44(39)47-41-22-10-15-32-14-9-21-40(46-42)43(32)41/h1-29H
InChIKeyVEPRPQOHIDXYLV-UHFFFAOYSA-N
MW603.72 g/mol
LogP12.69
Rot. Bonds5

About N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine

N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine (PubChem CID 166986582) has the molecular formula C44H29NO2 and a molecular weight of 603.72 g/mol. Its IUPAC name is N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine
PubChem CID166986582
Molecular FormulaC44H29NO2
Molecular Weight603.72 g/mol
Exact Mass603.22
IUPAC NameN-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4Oc4cccc6cccc(c46)O5)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H29NO2/c1-3-12-30(13-4-1)35-28-29-36(38-19-8-7-18-37(35)38)31-24-26-34(27-25-31)45(33-16-5-2-6-17-33)39-20-11-23-42-44(39)47-41-22-10-15-32-14-9-21-40(46-42)43(32)41/h1-29H
InChIKeyVEPRPQOHIDXYLV-UHFFFAOYSA-N
XLogP12.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.72
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine with MolForge

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
CID 166986775
3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166986872
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 122493278
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166986714
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaen-6-amine
CID 162774392
6-N,6-N,12-N-triphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855927
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N,4-diphenylaniline
CID 122493194

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine?
The IUPAC name of N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine (CID 166986582) is N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine.
What is the SMILES notation for N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine?
The canonical SMILES for N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4Oc4cccc6cccc(c46)O5)cc3)c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine?
The InChIKey is VEPRPQOHIDXYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO2/c1-3-12-30(13-4-1)35-28-29-36(38-19-8-7-18-37(35)38)31-24-26-34(27-25-31)45(33-16-5-2-6-17-33)39-20-11-23-42-44(39)47-41-22-10-15-32-14-9-21-40(46-42)43(32)41/h1-29H.
What are the key properties of N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine?
N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine has a molecular weight of 603.72 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-amine is sourced from PubChem (CID 166986582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).