(Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane

C109H100N4O8 — CID 158980230

IUPAC(Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane
SMILESC.CO/C(C)=C(\C(C)=O)c1c(C)c(C)c(-n2c3ccccc3c3ccccc32)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(-n2c3ccccc3c3ccccc32)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CO/C(C)=C(\C(C)=O)c1cccc2c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/2C28H23NO2.C28H29NO2.C24H21NO2.CH4/c1-18(30)28(19(2)31-3)24-14-8-13-21-20(24)12-9-17-27(21)29-25-15-6-4-10-22(25)23-11-5-7-16-26(23)29;1-18(30)28(19(2)31-3)24-16-17-27(21-11-5-4-10-20(21)24)29-25-14-8-6-12-22(25)23-13-7-9-15-26(23)29;1-16-18(3)28(19(4)17(2)26(16)27(20(5)30)21(6)31-7)29-24-14-10-8-12-22(24)23-13-9-11-15-25(23)29;1-16(26)24(17(2)27-3)18-12-14-19(15-13-18)25-22-10-6-4-8-20(22)21-9-5-7-11-23(21)25;/h2*4-17H,1-3H3;8-15H,1-7H3;4-15H,1-3H3;1H4/b2*28-19+;27-21+;24-17+;
InChIKeyJOXBTUPISHGCSG-USPUXNLLSA-N
MW1594.02 g/mol
LogP27.18
Rot. Bonds16

About (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane

(Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane (PubChem CID 158980230) has the molecular formula C109H100N4O8 and a molecular weight of 1594.02 g/mol. Its IUPAC name is (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane.

Molecular Properties

Compound Name(Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane
PubChem CID158980230
Molecular FormulaC109H100N4O8
Molecular Weight1594.02 g/mol
Exact Mass1592.75
IUPAC Name(Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane
SMILESC.CO/C(C)=C(\C(C)=O)c1c(C)c(C)c(-n2c3ccccc3c3ccccc32)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(-n2c3ccccc3c3ccccc32)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CO/C(C)=C(\C(C)=O)c1cccc2c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/2C28H23NO2.C28H29NO2.C24H21NO2.CH4/c1-18(30)28(19(2)31-3)24-14-8-13-21-20(24)12-9-17-27(21)29-25-15-6-4-10-22(25)23-11-5-7-16-26(23)29;1-18(30)28(19(2)31-3)24-16-17-27(21-11-5-4-10-20(21)24)29-25-14-8-6-12-22(25)23-13-7-9-15-26(23)29;1-16-18(3)28(19(4)17(2)26(16)27(20(5)30)21(6)31-7)29-24-14-10-8-12-22(24)23-13-9-11-15-25(23)29;1-16(26)24(17(2)27-3)18-12-14-19(15-13-18)25-22-10-6-4-8-20(22)21-9-5-7-11-23(21)25;/h2*4-17H,1-3H3;8-15H,1-7H3;4-15H,1-3H3;1H4/b2*28-19+;27-21+;24-17+;
InChIKeyJOXBTUPISHGCSG-USPUXNLLSA-N
XLogP27.18
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001594.02
LogP ≤ 527.18
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'}

Analyze (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane with MolForge

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Related Compounds

(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
CID 134598526
(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
CID 134598525
(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
9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
CID 140924005
(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one
CID 50936669
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
CID 141209128
methyl 4-[3-[bis[9-(4-methylphenyl)carbazol-3-yl]amino]carbazol-9-yl]benzoate
CID 126585601
(2Z,3E,5E)-1-(4-carbazol-9-ylphenyl)-3,6-dichloro-2-ethylidenehepta-3,5-dien-1-one
CID 143451226
methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane?
The IUPAC name of (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane (CID 158980230) is (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane.
What is the SMILES notation for (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane?
The canonical SMILES for (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane is C.CO/C(C)=C(\C(C)=O)c1c(C)c(C)c(-n2c3ccccc3c3ccccc32)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(-n2c3ccccc3c3ccccc32)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CO/C(C)=C(\C(C)=O)c1cccc2c(-n3c4ccccc4c4ccccc43)cccc12.
What is the InChIKey of (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane?
The InChIKey is JOXBTUPISHGCSG-USPUXNLLSA-N. The full InChI is InChI=1S/2C28H23NO2.C28H29NO2.C24H21NO2.CH4/c1-18(30)28(19(2)31-3)24-14-8-13-21-20(24)12-9-17-27(21)29-25-15-6-4-10-22(25)23-11-5-7-16-26(23)29;1-18(30)28(19(2)31-3)24-16-17-27(21-11-5-4-10-20(21)24)29-25-14-8-6-12-22(25)23-13-7-9-15-26(23)29;1-16-18(3)28(19(4)17(2)26(16)27(20(5)30)21(6)31-7)29-24-14-10-8-12-22(24)23-13-9-11-15-25(23)29;1-16(26)24(17(2)27-3)18-12-14-19(15-13-18)25-22-10-6-4-8-20(22)21-9-5-7-11-23(21)25;/h2*4-17H,1-3H3;8-15H,1-7H3;4-15H,1-3H3;1H4/b2*28-19+;27-21+;24-17+;.
What are the key properties of (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane?
(Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane has a molecular weight of 1594.02 g/mol, XLogP of 27.18, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-ylphenyl)-4-methoxypent-3-en-2-one;(Z)-3-(4-carbazol-9-yl-2,3,5,6-tetramethylphenyl)-4-methoxypent-3-en-2-one;methane is sourced from PubChem (CID 158980230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).