bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole

C54H42N2 — CID 142314963

IUPACbis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESC=CC=C.C=CC=C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C46H30N2.2C4H6/c1-2-15-34(16-3-1)47-42-22-9-7-19-38(42)40-29-32(25-27-45(40)47)33-26-28-46-41(30-33)39-20-8-11-24-44(39)48(46)43-23-10-6-18-37(43)36-21-12-14-31-13-4-5-17-35(31)36;2*1-3-4-2/h1-30H;2*3-4H,1-2H2
InChIKeyDGPILSUHCGQQGC-UHFFFAOYSA-N
MW718.94 g/mol
LogP15.08
Rot. Bonds6

About bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole

bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 142314963) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Namebis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID142314963
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Namebis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESC=CC=C.C=CC=C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C46H30N2.2C4H6/c1-2-15-34(16-3-1)47-42-22-9-7-19-38(42)40-29-32(25-27-45(40)47)33-26-28-46-41(30-33)39-20-8-11-24-44(39)48(46)43-23-10-6-18-37(43)36-21-12-14-31-13-4-5-17-35(31)36;2*1-3-4-2/h1-30H;2*3-4H,1-2H2
InChIKeyDGPILSUHCGQQGC-UHFFFAOYSA-N
XLogP15.08
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315055
2-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315065
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719

Frequently Asked Questions

What is the IUPAC name of bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole (CID 142314963) is bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole is C=CC=C.C=CC=C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is DGPILSUHCGQQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2.2C4H6/c1-2-15-34(16-3-1)47-42-22-9-7-19-38(42)40-29-32(25-27-45(40)47)33-26-28-46-41(30-33)39-20-8-11-24-44(39)48(46)43-23-10-6-18-37(43)36-21-12-14-31-13-4-5-17-35(31)36;2*1-3-4-2/h1-30H;2*3-4H,1-2H2.
What are the key properties of bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 718.94 g/mol, XLogP of 15.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 142314963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).