9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde

C59H41N3O5 — CID 148796534

IUPAC9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
SMILESCOc1ccc(-n2c3ccc(OC)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C=O)ccc6n7-c6ccc(C=O)cc6)ccc4n5-c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C59H41N3O5/c1-65-45-17-13-43(14-18-45)61-56-24-8-39(38-7-23-55-49(29-38)48-28-37(35-64)6-22-54(48)60(55)42-11-4-36(34-63)5-12-42)30-50(56)51-31-40(9-25-57(51)61)41-10-26-58-52(32-41)53-33-47(67-3)21-27-59(53)62(58)44-15-19-46(66-2)20-16-44/h4-35H,1-3H3
InChIKeyONEWUZXXDISALC-UHFFFAOYSA-N
MW871.99 g/mol
LogP13.96
Rot. Bonds10

About 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde

9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde (PubChem CID 148796534) has the molecular formula C59H41N3O5 and a molecular weight of 871.99 g/mol. Its IUPAC name is 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
PubChem CID148796534
Molecular FormulaC59H41N3O5
Molecular Weight871.99 g/mol
Exact Mass871.30
IUPAC Name9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
SMILESCOc1ccc(-n2c3ccc(OC)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C=O)ccc6n7-c6ccc(C=O)cc6)ccc4n5-c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C59H41N3O5/c1-65-45-17-13-43(14-18-45)61-56-24-8-39(38-7-23-55-49(29-38)48-28-37(35-64)6-22-54(48)60(55)42-11-4-36(34-63)5-12-42)30-50(56)51-31-40(9-25-57(51)61)41-10-26-58-52(32-41)53-33-47(67-3)21-27-59(53)62(58)44-15-19-46(66-2)20-16-44/h4-35H,1-3H3
InChIKeyONEWUZXXDISALC-UHFFFAOYSA-N
XLogP13.96
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.99
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbaldehyde
CID 58454912
4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
CID 126585558
4-(5-methoxy-2-methylbenzimidazol-1-yl)benzaldehyde
CID 155923756
3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane
CID 157135104
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
9-[4-[(E)-2-[4-[4-(benzenesulfonyl)phenyl]phenyl]ethenyl]phenyl]-3,6-dimethoxycarbazole
CID 130339144
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
CID 140847862
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine
CID 170992137
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953

Frequently Asked Questions

What is the IUPAC name of 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde?
The IUPAC name of 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde (CID 148796534) is 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde?
The canonical SMILES for 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde is COc1ccc(-n2c3ccc(OC)cc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C=O)ccc6n7-c6ccc(C=O)cc6)ccc4n5-c4ccc(OC)cc4)ccc32)cc1.
What is the InChIKey of 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde?
The InChIKey is ONEWUZXXDISALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3O5/c1-65-45-17-13-43(14-18-45)61-56-24-8-39(38-7-23-55-49(29-38)48-28-37(35-64)6-22-54(48)60(55)42-11-4-36(34-63)5-12-42)30-50(56)51-31-40(9-25-57(51)61)41-10-26-58-52(32-41)53-33-47(67-3)21-27-59(53)62(58)44-15-19-46(66-2)20-16-44/h4-35H,1-3H3.
What are the key properties of 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde?
9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde has a molecular weight of 871.99 g/mol, XLogP of 13.96, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde is sourced from PubChem (CID 148796534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).