(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

C160H138N4O8 — CID 160713415

IUPAC(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
SMILESCO/C(C)=C(\C(C)=O)c1c2ccccc2c(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12.CO/C(C)=C(\C(C)=O)c1cc2c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2c1.CO/C(C)=C(\C(C)=O)c1ccc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c1
InChIInChI=1S/C45H37NO2.C41H35NO2.2C37H33NO2/c1-28(47)44(29(2)48-5)40-26-38-34-19-11-12-21-37(34)43(27-39(38)32-17-9-10-18-33(32)40)46(30-15-7-6-8-16-30)31-23-24-36-35-20-13-14-22-41(35)45(3,4)42(36)25-31;1-26(43)38(27(2)44-5)39-32-18-9-11-20-34(32)40(35-21-12-10-19-33(35)39)42(28-15-7-6-8-16-28)29-23-24-31-30-17-13-14-22-36(30)41(3,4)37(31)25-29;1-24(39)36(25(2)40-5)28-16-15-27-22-30(18-17-26(27)21-28)38(29-11-7-6-8-12-29)31-19-20-33-32-13-9-10-14-34(32)37(3,4)35(33)23-31;1-24(39)36(25(2)40-5)27-16-15-26-17-18-30(22-28(26)21-27)38(29-11-7-6-8-12-29)31-19-20-33-32-13-9-10-14-34(32)37(3,4)35(33)23-31/h6-27H,1-5H3;6-25H,1-5H3;2*6-23H,1-5H3/b44-29+;38-27+;2*36-25+
InChIKeyRSDQIPZIMBWNIS-ZSWSRLKWSA-N
MW2244.88 g/mol
LogP41.79
Rot. Bonds24

About (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

(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 (PubChem CID 160713415) has the molecular formula C160H138N4O8 and a molecular weight of 2244.88 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160713415
Molecular FormulaC160H138N4O8
Molecular Weight2244.88 g/mol
Exact Mass2243.05
IUPAC Name(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
SMILESCO/C(C)=C(\C(C)=O)c1c2ccccc2c(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12.CO/C(C)=C(\C(C)=O)c1cc2c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2c1.CO/C(C)=C(\C(C)=O)c1ccc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c1
InChIInChI=1S/C45H37NO2.C41H35NO2.2C37H33NO2/c1-28(47)44(29(2)48-5)40-26-38-34-19-11-12-21-37(34)43(27-39(38)32-17-9-10-18-33(32)40)46(30-15-7-6-8-16-30)31-23-24-36-35-20-13-14-22-41(35)45(3,4)42(36)25-31;1-26(43)38(27(2)44-5)39-32-18-9-11-20-34(32)40(35-21-12-10-19-33(35)39)42(28-15-7-6-8-16-28)29-23-24-31-30-17-13-14-22-36(30)41(3,4)37(31)25-29;1-24(39)36(25(2)40-5)28-16-15-27-22-30(18-17-26(27)21-28)38(29-11-7-6-8-12-29)31-19-20-33-32-13-9-10-14-34(32)37(3,4)35(33)23-31;1-24(39)36(25(2)40-5)27-16-15-26-17-18-30(22-28(26)21-27)38(29-11-7-6-8-12-29)31-19-20-33-32-13-9-10-14-34(32)37(3,4)35(33)23-31/h6-27H,1-5H3;6-25H,1-5H3;2*6-23H,1-5H3/b44-29+;38-27+;2*36-25+
InChIKeyRSDQIPZIMBWNIS-ZSWSRLKWSA-N
XLogP41.79
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.88
LogP ≤ 541.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

(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
(Z)-3-[6-(N-(9,9-dimethylfluoren-2-yl)anilino)pyren-1-yl]-4-methoxypent-3-en-2-one
CID 134598415
23-N,30-N-bis(9,9-dimethylfluoren-2-yl)-19,19,34,34-tetramethyl-23-N,30-N-diphenyloctacyclo[16.16.0.03,16.04,9.010,15.020,33.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,20,22,24,26,28,30,32-hexadecaene-23,30-diamine
CID 88951419
4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
CID 139978989
10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
CID 59221590
N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
CID 59221508
10-N,10-N-bis[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine
CID 138667147
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
12,12,20,20-tetramethyl-2-N,16-N-dinaphthalen-2-yl-2-N,16-N-diphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1,3,5(13),6,8,10,14,16,18,21,23,25,27-tridecaene-2,16-diamine
CID 89061931
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706
2-N-(9,9-dimethylfluoren-2-yl)-2-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]-6-N,6-N-diphenylnaphthalene-2,6-diamine
CID 163509487
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO/C(C)=C(\C(C)=O)c1c2ccccc2c(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc12.CO/C(C)=C(\C(C)=O)c1cc2c3ccccc3c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2c1.CO/C(C)=C(\C(C)=O)c1ccc2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c1.
What is the InChIKey of (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?
The InChIKey is RSDQIPZIMBWNIS-ZSWSRLKWSA-N. The full InChI is InChI=1S/C45H37NO2.C41H35NO2.2C37H33NO2/c1-28(47)44(29(2)48-5)40-26-38-34-19-11-12-21-37(34)43(27-39(38)32-17-9-10-18-33(32)40)46(30-15-7-6-8-16-30)31-23-24-36-35-20-13-14-22-41(35)45(3,4)42(36)25-31;1-26(43)38(27(2)44-5)39-32-18-9-11-20-34(32)40(35-21-12-10-19-33(35)39)42(28-15-7-6-8-16-28)29-23-24-31-30-17-13-14-22-36(30)41(3,4)37(31)25-29;1-24(39)36(25(2)40-5)28-16-15-27-22-30(18-17-26(27)21-28)38(29-11-7-6-8-12-29)31-19-20-33-32-13-9-10-14-34(32)37(3,4)35(33)23-31;1-24(39)36(25(2)40-5)27-16-15-26-17-18-30(22-28(26)21-27)38(29-11-7-6-8-12-29)31-19-20-33-32-13-9-10-14-34(32)37(3,4)35(33)23-31/h6-27H,1-5H3;6-25H,1-5H3;2*6-23H,1-5H3/b44-29+;38-27+;2*36-25+.
What are the key properties of (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?
(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 has a molecular weight of 2244.88 g/mol, XLogP of 41.79, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160713415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).