4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline

C42H34N2 — CID 145190219

IUPAC4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(N/C(=C\Cc5ccccc5)c5ccccc5)cc4)c3cc21
InChIInChI=1S/C42H34N2/c1-42(2)37-19-11-9-17-33(37)35-27-36-34-18-10-12-20-40(34)44(41(36)28-38(35)42)32-24-22-31(23-25-32)43-39(30-15-7-4-8-16-30)26-21-29-13-5-3-6-14-29/h3-20,22-28,43H,21H2,1-2H3/b39-26-
InChIKeyLXPJNKJSQAUCOS-ZSBPYGRISA-N
MW566.75 g/mol
LogP10.79
Rot. Bonds6

About 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline

4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline (PubChem CID 145190219) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline.

Molecular Properties

Compound Name4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline
PubChem CID145190219
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(N/C(=C\Cc5ccccc5)c5ccccc5)cc4)c3cc21
InChIInChI=1S/C42H34N2/c1-42(2)37-19-11-9-17-33(37)35-27-36-34-18-10-12-20-40(34)44(41(36)28-38(35)42)32-24-22-31(23-25-32)43-39(30-15-7-4-8-16-30)26-21-29-13-5-3-6-14-29/h3-20,22-28,43H,21H2,1-2H3/b39-26-
InChIKeyLXPJNKJSQAUCOS-ZSBPYGRISA-N
XLogP10.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 510.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline with MolForge

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Related Compounds

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
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
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
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142519466
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
30,30-dimethyl-5-(9-phenylcarbazol-2-yl)-5-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361045

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline?
The IUPAC name of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline (CID 145190219) is 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline.
What is the SMILES notation for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline?
The canonical SMILES for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(N/C(=C\Cc5ccccc5)c5ccccc5)cc4)c3cc21.
What is the InChIKey of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline?
The InChIKey is LXPJNKJSQAUCOS-ZSBPYGRISA-N. The full InChI is InChI=1S/C42H34N2/c1-42(2)37-19-11-9-17-33(37)35-27-36-34-18-10-12-20-40(34)44(41(36)28-38(35)42)32-24-22-31(23-25-32)43-39(30-15-7-4-8-16-30)26-21-29-13-5-3-6-14-29/h3-20,22-28,43H,21H2,1-2H3/b39-26-.
What are the key properties of 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline?
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline has a molecular weight of 566.75 g/mol, XLogP of 10.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-[(Z)-1,3-diphenylprop-1-enyl]aniline is sourced from PubChem (CID 145190219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).