4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde

C41H29N5O — CID 145092783

IUPAC4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
SMILESCN1C(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(C=O)cc4)c32)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C41H29N5O/c1-44-40(29-14-6-3-7-15-29)42-39(28-12-4-2-5-13-28)43-41(44)46-34-18-10-8-16-31(34)32-24-25-36-37(38(32)46)33-17-9-11-19-35(33)45(36)30-22-20-27(26-47)21-23-30/h2-26,40H,1H3
InChIKeyTVRWQRDBJZVIEP-UHFFFAOYSA-N
MW607.72 g/mol
LogP9.00
Rot. Bonds4

About 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde

4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde (PubChem CID 145092783) has the molecular formula C41H29N5O and a molecular weight of 607.72 g/mol. Its IUPAC name is 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde.

Molecular Properties

Compound Name4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
PubChem CID145092783
Molecular FormulaC41H29N5O
Molecular Weight607.72 g/mol
Exact Mass607.24
IUPAC Name4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
SMILESCN1C(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(C=O)cc4)c32)=NC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C41H29N5O/c1-44-40(29-14-6-3-7-15-29)42-39(28-12-4-2-5-13-28)43-41(44)46-34-18-10-8-16-31(34)32-24-25-36-37(38(32)46)33-17-9-11-19-35(33)45(36)30-22-20-27(26-47)21-23-30/h2-26,40H,1H3
InChIKeyTVRWQRDBJZVIEP-UHFFFAOYSA-N
XLogP9.00
TPSA54.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.72
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 163972576
4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
CID 131993001
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
5,12-diphenylindolo[3,2-c]carbazole-10-carbaldehyde
CID 140956390
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole
CID 123583824
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228656
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833

Frequently Asked Questions

What is the IUPAC name of 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde?
The IUPAC name of 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde (CID 145092783) is 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde.
What is the SMILES notation for 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde?
The canonical SMILES for 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde is CN1C(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(C=O)cc4)c32)=NC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde?
The InChIKey is TVRWQRDBJZVIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5O/c1-44-40(29-14-6-3-7-15-29)42-39(28-12-4-2-5-13-28)43-41(44)46-34-18-10-8-16-31(34)32-24-25-36-37(38(32)46)33-17-9-11-19-35(33)45(36)30-22-20-27(26-47)21-23-30/h2-26,40H,1H3.
What are the key properties of 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde?
4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde has a molecular weight of 607.72 g/mol, XLogP of 9.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde is sourced from PubChem (CID 145092783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).