7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide

C38H31N3 — CID 154035967

IUPAC7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide
SMILESC=C(/N=C(\N=C(C)c1ccccc1)n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3)c1ccccc1
InChIInChI=1S/C38H31N3/c1-25(27-15-7-5-8-16-27)39-37(40-26(2)28-17-9-6-10-18-28)41-35-22-14-12-20-30(35)32-23-31-29-19-11-13-21-33(29)38(3,4)34(31)24-36(32)41/h5-24H,1H2,2-4H3/b39-37+,40-26?
InChIKeySBXIJONZAHCPHS-GDQJYIEWSA-N
MW529.69 g/mol
LogP9.48
Rot. Bonds3

About 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide

7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide (PubChem CID 154035967) has the molecular formula C38H31N3 and a molecular weight of 529.69 g/mol. Its IUPAC name is 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide.

Molecular Properties

Compound Name7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide
PubChem CID154035967
Molecular FormulaC38H31N3
Molecular Weight529.69 g/mol
Exact Mass529.25
IUPAC Name7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide
SMILESC=C(/N=C(\N=C(C)c1ccccc1)n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3)c1ccccc1
InChIInChI=1S/C38H31N3/c1-25(27-15-7-5-8-16-27)39-37(40-26(2)28-17-9-6-10-18-28)41-35-22-14-12-20-30(35)32-23-31-29-19-11-13-21-33(29)38(3,4)34(31)24-36(32)41/h5-24H,1H2,2-4H3/b39-37+,40-26?
InChIKeySBXIJONZAHCPHS-GDQJYIEWSA-N
XLogP9.48
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.69
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide with MolForge

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Related Compounds

3-(12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
CID 167186375
N-[(1Z)-1-(9,9-dimethylfluoren-2-yl)-3-phenylbuta-1,3-dienyl]-1-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)ethanimine
CID 144564945
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
N-(1-carbazol-9-ylethenyl)-1-phenylethanimine
CID 174072422
N-[amino(phenyl)methylidene]-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N'-methylbenzenecarboximidamide
CID 171812843
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-5-(8-methylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 155130310
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide?
The IUPAC name of 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide (CID 154035967) is 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide.
What is the SMILES notation for 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide?
The canonical SMILES for 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide is C=C(/N=C(\N=C(C)c1ccccc1)n1c2ccccc2c2cc3c(cc21)C(C)(C)c1ccccc1-3)c1ccccc1.
What is the InChIKey of 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide?
The InChIKey is SBXIJONZAHCPHS-GDQJYIEWSA-N. The full InChI is InChI=1S/C38H31N3/c1-25(27-15-7-5-8-16-27)39-37(40-26(2)28-17-9-6-10-18-28)41-35-22-14-12-20-30(35)32-23-31-29-19-11-13-21-33(29)38(3,4)34(31)24-36(32)41/h5-24H,1H2,2-4H3/b39-37+,40-26?.
What are the key properties of 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide?
7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide has a molecular weight of 529.69 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide is sourced from PubChem (CID 154035967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).