(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one

C172H151N5O10 — CID 160954089

IUPAC(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one
SMILESCO/C(C)=C(\C(C)=O)c1c(C)c(C)c(N(c2ccccc2)c2ccccc2-c2ccccc2)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2)cc1.CO/C(C)=C(\C(C)=O)c1ccc2ccc3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc4ccc1c2c43.CO/C(C)=C(\C(C)=O)c1cccc2c(N(c3ccccc3)c3ccccc3-c3ccccc3)cccc12
InChIInChI=1S/C40H31NO2.2C34H29NO2.C34H35NO2.C30H27NO2/c1-26(42)38(27(2)43-3)34-22-16-30-18-24-36-37(25-19-31-17-23-35(34)39(30)40(31)36)41(32-12-8-5-9-13-32)33-20-14-29(15-21-33)28-10-6-4-7-11-28;1-24(36)34(25(2)37-3)31-21-12-20-30-29(31)19-13-23-33(30)35(27-16-8-5-9-17-27)32-22-11-10-18-28(32)26-14-6-4-7-15-26;1-24(36)34(25(2)37-3)31-22-23-33(30-20-11-10-19-29(30)31)35(27-16-8-5-9-17-27)32-21-13-12-18-28(32)26-14-6-4-7-15-26;1-22-24(3)34(25(4)23(2)32(22)33(26(5)36)27(6)37-7)35(29-18-12-9-13-19-29)31-21-15-14-20-30(31)28-16-10-8-11-17-28;1-22(32)30(23(2)33-3)25-18-20-27(21-19-25)31(26-14-8-5-9-15-26)29-17-11-10-16-28(29)24-12-6-4-7-13-24/h4-25H,1-3H3;2*4-23H,1-3H3;8-21H,1-7H3;4-21H,1-3H3/b38-27+;2*34-25+;33-27+;30-23+
InChIKeySWDNSFBDCUUQRX-UCVCFCKBSA-N
MW2448.12 g/mol
LogP45.39
Rot. Bonds35

About (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one

(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one (PubChem CID 160954089) has the molecular formula C172H151N5O10 and a molecular weight of 2448.12 g/mol. Its IUPAC name is (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one
PubChem CID160954089
Molecular FormulaC172H151N5O10
Molecular Weight2448.12 g/mol
Exact Mass2446.15
IUPAC Name(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one
SMILESCO/C(C)=C(\C(C)=O)c1c(C)c(C)c(N(c2ccccc2)c2ccccc2-c2ccccc2)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2)cc1.CO/C(C)=C(\C(C)=O)c1ccc2ccc3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc4ccc1c2c43.CO/C(C)=C(\C(C)=O)c1cccc2c(N(c3ccccc3)c3ccccc3-c3ccccc3)cccc12
InChIInChI=1S/C40H31NO2.2C34H29NO2.C34H35NO2.C30H27NO2/c1-26(42)38(27(2)43-3)34-22-16-30-18-24-36-37(25-19-31-17-23-35(34)39(30)40(31)36)41(32-12-8-5-9-13-32)33-20-14-29(15-21-33)28-10-6-4-7-11-28;1-24(36)34(25(2)37-3)31-21-12-20-30-29(31)19-13-23-33(30)35(27-16-8-5-9-17-27)32-22-11-10-18-28(32)26-14-6-4-7-15-26;1-24(36)34(25(2)37-3)31-22-23-33(30-20-11-10-19-29(30)31)35(27-16-8-5-9-17-27)32-21-13-12-18-28(32)26-14-6-4-7-15-26;1-22-24(3)34(25(4)23(2)32(22)33(26(5)36)27(6)37-7)35(29-18-12-9-13-19-29)31-21-15-14-20-30(31)28-16-10-8-11-17-28;1-22(32)30(23(2)33-3)25-18-20-27(21-19-25)31(26-14-8-5-9-15-26)29-17-11-10-16-28(29)24-12-6-4-7-13-24/h4-25H,1-3H3;2*4-23H,1-3H3;8-21H,1-7H3;4-21H,1-3H3/b38-27+;2*34-25+;33-27+;30-23+
InChIKeySWDNSFBDCUUQRX-UCVCFCKBSA-N
XLogP45.39
TPSA147.70 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002448.12
LogP ≤ 545.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one with MolForge

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Related Compounds

(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one
CID 159912190
(Z)-4-methoxy-3-[10-(N-(2-phenylphenyl)anilino)anthracen-9-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(2-phenylphenyl)anilino)naphthalen-2-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[7-(N-(2-phenylphenyl)anilino)naphthalen-2-yl]pent-3-en-2-one
CID 160624686
1-N,3-N-bis(2-methyl-3-phenylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 129062810
1-N,6-N-bis(2-methyl-6-phenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 129062572
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
(Z)-3-[10-(N-(9,9-dimethylfluoren-2-yl)anilino)anthracen-9-yl]-4-methoxypent-3-en-2-one;(Z)-3-[12-(N-(9,9-dimethylfluoren-2-yl)anilino)chrysen-6-yl]-4-methoxypent-3-en-2-one;(Z)-3-[6-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-2-yl]-4-methoxypent-3-en-2-one;(Z)-3-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-2-yl]-4-methoxypent-3-en-2-one
CID 160713415
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167411998
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 161073690
N-phenyl-N-(2-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412210
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one?
The IUPAC name of (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one (CID 160954089) is (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one?
The canonical SMILES for (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one is CO/C(C)=C(\C(C)=O)c1c(C)c(C)c(N(c2ccccc2)c2ccccc2-c2ccccc2)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2)cc1.CO/C(C)=C(\C(C)=O)c1ccc2ccc3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc4ccc1c2c43.CO/C(C)=C(\C(C)=O)c1cccc2c(N(c3ccccc3)c3ccccc3-c3ccccc3)cccc12.
What is the InChIKey of (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one?
The InChIKey is SWDNSFBDCUUQRX-UCVCFCKBSA-N. The full InChI is InChI=1S/C40H31NO2.2C34H29NO2.C34H35NO2.C30H27NO2/c1-26(42)38(27(2)43-3)34-22-16-30-18-24-36-37(25-19-31-17-23-35(34)39(30)40(31)36)41(32-12-8-5-9-13-32)33-20-14-29(15-21-33)28-10-6-4-7-11-28;1-24(36)34(25(2)37-3)31-21-12-20-30-29(31)19-13-23-33(30)35(27-16-8-5-9-17-27)32-22-11-10-18-28(32)26-14-6-4-7-15-26;1-24(36)34(25(2)37-3)31-22-23-33(30-20-11-10-19-29(30)31)35(27-16-8-5-9-17-27)32-21-13-12-18-28(32)26-14-6-4-7-15-26;1-22-24(3)34(25(4)23(2)32(22)33(26(5)36)27(6)37-7)35(29-18-12-9-13-19-29)31-21-15-14-20-30(31)28-16-10-8-11-17-28;1-22(32)30(23(2)33-3)25-18-20-27(21-19-25)31(26-14-8-5-9-15-26)29-17-11-10-16-28(29)24-12-6-4-7-13-24/h4-25H,1-3H3;2*4-23H,1-3H3;8-21H,1-7H3;4-21H,1-3H3/b38-27+;2*34-25+;33-27+;30-23+.
What are the key properties of (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one?
(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one has a molecular weight of 2448.12 g/mol, XLogP of 45.39, 35 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one is sourced from PubChem (CID 160954089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).