9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole

C164H144N6O3 — CID 158617582

IUPAC9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole
SMILESCCC/C=C/c1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.CCCCCCCCCCCCc1ccc(C#Cc2ccc3c4ccc5c6ccccc6ccc5c4n(C)c3c2)cc1.CCCCCOc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.COc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.COc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.Cn1c2ccccc2c2ccc3c4ccc(-c5ccccc5)cc4ccc3c21
InChIInChI=1S/C41H43N.C27H19N.C26H25NO.C26H23N.2C22H17NO/c1-3-4-5-6-7-8-9-10-11-12-15-31-18-20-32(21-19-31)22-23-33-24-26-37-39-29-28-36-35-17-14-13-16-34(35)25-27-38(36)41(39)42(2)40(37)30-33;1-28-26-10-6-5-9-23(26)25-16-15-22-21-13-11-19(18-7-3-2-4-8-18)17-20(21)12-14-24(22)27(25)28;1-3-4-7-16-28-19-11-13-22-24-15-14-21-20-9-6-5-8-18(20)10-12-23(21)26(24)27(2)25(22)17-19;1-3-4-5-8-18-11-13-22-24-16-15-21-20-10-7-6-9-19(20)12-14-23(21)26(24)27(2)25(22)17-18;2*1-23-21-13-15(24-2)8-10-18(21)20-12-11-17-16-6-4-3-5-14(16)7-9-19(17)22(20)23/h13-14,16-21,24-30H,3-12,15H2,1-2H3;2-17H,1H3;5-6,8-15,17H,3-4,7,16H2,1-2H3;5-17H,3-4H2,1-2H3;2*3-13H,1-2H3/b;;;8-5+;;
InChIKeyHXORIKISGNEBCS-VFBFDYAXSA-N
MW2246.99 g/mol
LogP44.76
Rot. Bonds22

About 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole

9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole (PubChem CID 158617582) has the molecular formula C164H144N6O3 and a molecular weight of 2246.99 g/mol. Its IUPAC name is 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole.

Molecular Properties

Compound Name9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole
PubChem CID158617582
Molecular FormulaC164H144N6O3
Molecular Weight2246.99 g/mol
Exact Mass2245.13
IUPAC Name9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole
SMILESCCC/C=C/c1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.CCCCCCCCCCCCc1ccc(C#Cc2ccc3c4ccc5c6ccccc6ccc5c4n(C)c3c2)cc1.CCCCCOc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.COc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.COc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.Cn1c2ccccc2c2ccc3c4ccc(-c5ccccc5)cc4ccc3c21
InChIInChI=1S/C41H43N.C27H19N.C26H25NO.C26H23N.2C22H17NO/c1-3-4-5-6-7-8-9-10-11-12-15-31-18-20-32(21-19-31)22-23-33-24-26-37-39-29-28-36-35-17-14-13-16-34(35)25-27-38(36)41(39)42(2)40(37)30-33;1-28-26-10-6-5-9-23(26)25-16-15-22-21-13-11-19(18-7-3-2-4-8-18)17-20(21)12-14-24(22)27(25)28;1-3-4-7-16-28-19-11-13-22-24-15-14-21-20-9-6-5-8-18(20)10-12-23(21)26(24)27(2)25(22)17-19;1-3-4-5-8-18-11-13-22-24-16-15-21-20-10-7-6-9-19(20)12-14-23(21)26(24)27(2)25(22)17-18;2*1-23-21-13-15(24-2)8-10-18(21)20-12-11-17-16-6-4-3-5-14(16)7-9-19(17)22(20)23/h13-14,16-21,24-30H,3-12,15H2,1-2H3;2-17H,1H3;5-6,8-15,17H,3-4,7,16H2,1-2H3;5-17H,3-4H2,1-2H3;2*3-13H,1-2H3/b;;;8-5+;;
InChIKeyHXORIKISGNEBCS-VFBFDYAXSA-N
XLogP44.76
TPSA57.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002246.99
LogP ≤ 544.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole with MolForge

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Related Compounds

11-methyl-2-tetradecylnaphtho[2,1-a]carbazole
CID 90260138
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2-hexoxy-6-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 19912559
2-heptoxy-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 19912357
2-butoxy-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 19912302
2-[2-(4-butylphenyl)ethynyl]-6-hexoxynaphthalene
CID 19912577
2-heptoxy-6-[2-(4-methoxyphenyl)ethynyl]naphthalene
CID 19912629
7-butoxy-1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 75070824
2-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]-6-pentylnaphthalene
CID 19912406
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
1-(4-hexoxyphenyl)-9-methylcarbazole
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9-[4-[2-(4-octoxyphenyl)ethynyl]phenyl]anthracene
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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole?
The IUPAC name of 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole (CID 158617582) is 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole.
What is the SMILES notation for 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole?
The canonical SMILES for 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole is CCC/C=C/c1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.CCCCCCCCCCCCc1ccc(C#Cc2ccc3c4ccc5c6ccccc6ccc5c4n(C)c3c2)cc1.CCCCCOc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.COc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.COc1ccc2c3ccc4c5ccccc5ccc4c3n(C)c2c1.Cn1c2ccccc2c2ccc3c4ccc(-c5ccccc5)cc4ccc3c21.
What is the InChIKey of 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole?
The InChIKey is HXORIKISGNEBCS-VFBFDYAXSA-N. The full InChI is InChI=1S/C41H43N.C27H19N.C26H25NO.C26H23N.2C22H17NO/c1-3-4-5-6-7-8-9-10-11-12-15-31-18-20-32(21-19-31)22-23-33-24-26-37-39-29-28-36-35-17-14-13-16-34(35)25-27-38(36)41(39)42(2)40(37)30-33;1-28-26-10-6-5-9-23(26)25-16-15-22-21-13-11-19(18-7-3-2-4-8-18)17-20(21)12-14-24(22)27(25)28;1-3-4-7-16-28-19-11-13-22-24-15-14-21-20-9-6-5-8-18(20)10-12-23(21)26(24)27(2)25(22)17-19;1-3-4-5-8-18-11-13-22-24-16-15-21-20-10-7-6-9-19(20)12-14-23(21)26(24)27(2)25(22)17-18;2*1-23-21-13-15(24-2)8-10-18(21)20-12-11-17-16-6-4-3-5-14(16)7-9-19(17)22(20)23/h13-14,16-21,24-30H,3-12,15H2,1-2H3;2-17H,1H3;5-6,8-15,17H,3-4,7,16H2,1-2H3;5-17H,3-4H2,1-2H3;2*3-13H,1-2H3/b;;;8-5+;;.
What are the key properties of 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole?
9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole has a molecular weight of 2246.99 g/mol, XLogP of 44.76, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-dodecylphenyl)ethynyl]-11-methylnaphtho[2,1-a]carbazole;bis(9-methoxy-11-methylnaphtho[2,1-a]carbazole);11-methyl-9-[(E)-pent-1-enyl]naphtho[2,1-a]carbazole;11-methyl-9-pentoxynaphtho[2,1-a]carbazole;11-methyl-2-phenylnaphtho[2,1-a]carbazole is sourced from PubChem (CID 158617582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).