[5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine

C50H38N4 — CID 121307459

IUPAC[5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine
SMILES[H]/N=C/c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3cc4c(cc3c3cc5c(cc32)C(C)(C)c2ccccc2-5)C(C)(C)c2ccccc2-4)cc1/C=N/[H]
InChIInChI=1S/C50H38N4/c1-49(2)40-18-10-6-14-32(40)36-25-45-38(24-41(36)49)37-23-35-31-13-5-9-17-39(31)50(3,4)42(35)26-46(37)54(45)48-22-30(28-52)29(27-51)21-47(48)53-43-19-11-7-15-33(43)34-16-8-12-20-44(34)53/h5-28,51-52H,1-4H3/b51-27+,52-28+
InChIKeyPSQYXLDCHQGLTB-SWCBIPEYSA-N
MW694.88 g/mol
LogP12.49
Rot. Bonds4

About [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine

[5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine (PubChem CID 121307459) has the molecular formula C50H38N4 and a molecular weight of 694.88 g/mol. Its IUPAC name is [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine.

Molecular Properties

Compound Name[5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine
PubChem CID121307459
Molecular FormulaC50H38N4
Molecular Weight694.88 g/mol
Exact Mass694.31
IUPAC Name[5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine
SMILES[H]/N=C/c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3cc4c(cc3c3cc5c(cc32)C(C)(C)c2ccccc2-5)C(C)(C)c2ccccc2-4)cc1/C=N/[H]
InChIInChI=1S/C50H38N4/c1-49(2)40-18-10-6-14-32(40)36-25-45-38(24-41(36)49)37-23-35-31-13-5-9-17-39(31)50(3,4)42(35)26-46(37)54(45)48-22-30(28-52)29(27-51)21-47(48)53-43-19-11-7-15-33(43)34-16-8-12-20-44(34)53/h5-28,51-52H,1-4H3/b51-27+,52-28+
InChIKeyPSQYXLDCHQGLTB-SWCBIPEYSA-N
XLogP12.49
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.88
LogP ≤ 512.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine with MolForge

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Related Compounds

2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione
CID 158538200
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
CID 118488779
7,7-dimethyl-5-(8-methylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 155130310
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 176626786
4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 118335098

Frequently Asked Questions

What is the IUPAC name of [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine?
The IUPAC name of [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine (CID 121307459) is [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine.
What is the SMILES notation for [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine?
The canonical SMILES for [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine is [H]/N=C/c1cc(-n2c3ccccc3c3ccccc32)c(-n2c3cc4c(cc3c3cc5c(cc32)C(C)(C)c2ccccc2-5)C(C)(C)c2ccccc2-4)cc1/C=N/[H].
What is the InChIKey of [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine?
The InChIKey is PSQYXLDCHQGLTB-SWCBIPEYSA-N. The full InChI is InChI=1S/C50H38N4/c1-49(2)40-18-10-6-14-32(40)36-25-45-38(24-41(36)49)37-23-35-31-13-5-9-17-39(31)50(3,4)42(35)26-46(37)54(45)48-22-30(28-52)29(27-51)21-47(48)53-43-19-11-7-15-33(43)34-16-8-12-20-44(34)53/h5-28,51-52H,1-4H3/b51-27+,52-28+.
What are the key properties of [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine?
[5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine has a molecular weight of 694.88 g/mol, XLogP of 12.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-carbazol-9-yl-2-methanimidoyl-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)phenyl]methanimine is sourced from PubChem (CID 121307459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).