5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde

C46H48N2O2 — CID 141449620

IUPAC5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde
SMILESCCCCCCn1c2ccc(C=O)cc2c2c(-c3ccc(C)cc3)c3c(c(-c4ccc(C)cc4)c21)c1cc(C=O)ccc1n3CCCCCC
InChIInChI=1S/C46H48N2O2/c1-5-7-9-11-25-47-39-23-17-33(29-49)27-37(39)43-42(36-21-15-32(4)16-22-36)46-44(41(45(43)47)35-19-13-31(3)14-20-35)38-28-34(30-50)18-24-40(38)48(46)26-12-10-8-6-2/h13-24,27-30H,5-12,25-26H2,1-4H3
InChIKeyALEYNUMQOKLXCH-UHFFFAOYSA-N
MW660.90 g/mol
LogP12.64
Rot. Bonds14

About 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde

5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde (PubChem CID 141449620) has the molecular formula C46H48N2O2 and a molecular weight of 660.90 g/mol. Its IUPAC name is 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde.

Molecular Properties

Compound Name5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde
PubChem CID141449620
Molecular FormulaC46H48N2O2
Molecular Weight660.90 g/mol
Exact Mass660.37
IUPAC Name5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde
SMILESCCCCCCn1c2ccc(C=O)cc2c2c(-c3ccc(C)cc3)c3c(c(-c4ccc(C)cc4)c21)c1cc(C=O)ccc1n3CCCCCC
InChIInChI=1S/C46H48N2O2/c1-5-7-9-11-25-47-39-23-17-33(29-49)27-37(39)43-42(36-21-15-32(4)16-22-36)46-44(41(45(43)47)35-19-13-31(3)14-20-35)38-28-34(30-50)18-24-40(38)48(46)26-12-10-8-6-2/h13-24,27-30H,5-12,25-26H2,1-4H3
InChIKeyALEYNUMQOKLXCH-UHFFFAOYSA-N
XLogP12.64
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.90
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-9H-carbazole-3-carbaldehyde
CID 82055
EG-018
CID 118796466
9-Methyl-9H-carbazole-3-carbaldehyde
CID 610666
EG-2201
CID 118796499
3-(2-Hydroxyethyl)-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 24971432
5-methyl-11H-indolo[3,2-b]carbazole-6-carbaldehyde
CID 156019160
9-acetyl-6-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
CID 44519134
N-(1-adamantyl)-9-pentyl-9H-carbazole-3-carboxamide
CID 56651017
(9-Pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
(9-Ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 56651693
1-[[4-[2-(dimethylcarbamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 71074751
1-[[4-(2-carbamoylphenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 71075678

Frequently Asked Questions

What is the IUPAC name of 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde?
The IUPAC name of 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde (CID 141449620) is 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde.
What is the SMILES notation for 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde?
The canonical SMILES for 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde is CCCCCCn1c2ccc(C=O)cc2c2c(-c3ccc(C)cc3)c3c(c(-c4ccc(C)cc4)c21)c1cc(C=O)ccc1n3CCCCCC.
What is the InChIKey of 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde?
The InChIKey is ALEYNUMQOKLXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48N2O2/c1-5-7-9-11-25-47-39-23-17-33(29-49)27-37(39)43-42(36-21-15-32(4)16-22-36)46-44(41(45(43)47)35-19-13-31(3)14-20-35)38-28-34(30-50)18-24-40(38)48(46)26-12-10-8-6-2/h13-24,27-30H,5-12,25-26H2,1-4H3.
What are the key properties of 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde?
5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde has a molecular weight of 660.90 g/mol, XLogP of 12.64, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dihexyl-6,12-bis(4-methylphenyl)indolo[3,2-b]carbazole-2,8-dicarbaldehyde is sourced from PubChem (CID 141449620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).