9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole

C48H50N2O — CID 161246536

IUPAC9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole
SMILESCCCCCCCCCCCCOc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C36H41NO.C12H9N/c1-2-3-4-5-6-7-8-9-10-15-28-38-32-26-22-30(23-27-32)29-20-24-31(25-21-29)37-35-18-13-11-16-33(35)34-17-12-14-19-36(34)37;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h11-14,16-27H,2-10,15,28H2,1H3;1-8,13H
InChIKeyVASCDNXWYJTJOQ-UHFFFAOYSA-N
MW670.94 g/mol
LogP14.07
Rot. Bonds14

About 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole

9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole (PubChem CID 161246536) has the molecular formula C48H50N2O and a molecular weight of 670.94 g/mol. Its IUPAC name is 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole
PubChem CID161246536
Molecular FormulaC48H50N2O
Molecular Weight670.94 g/mol
Exact Mass670.39
IUPAC Name9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole
SMILESCCCCCCCCCCCCOc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C36H41NO.C12H9N/c1-2-3-4-5-6-7-8-9-10-15-28-38-32-26-22-30(23-27-32)29-20-24-31(25-21-29)37-35-18-13-11-16-33(35)34-17-12-14-19-36(34)37;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h11-14,16-27H,2-10,15,28H2,1H3;1-8,13H
InChIKeyVASCDNXWYJTJOQ-UHFFFAOYSA-N
XLogP14.07
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.94
LogP ≤ 514.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,18,27-tris(4-hexoxyphenyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 130472931
1-(4-hexoxyphenyl)-9H-carbazole
CID 141338057
3,6-dimethyl-9-(4-octoxyphenyl)carbazole
CID 21042265
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
CID 59273670
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
CID 59683855
1-pentoxy-4-phenylbenzene
CID 7021155
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
1-(4-hexoxyphenyl)-9-methylcarbazole
CID 175494654
2,5-bis(4-bromophenyl)-1-(4-hexoxyphenyl)pyrrole
CID 23497956

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole?
The IUPAC name of 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole (CID 161246536) is 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole.
What is the SMILES notation for 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole?
The canonical SMILES for 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole is CCCCCCCCCCCCOc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole?
The InChIKey is VASCDNXWYJTJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41NO.C12H9N/c1-2-3-4-5-6-7-8-9-10-15-28-38-32-26-22-30(23-27-32)29-20-24-31(25-21-29)37-35-18-13-11-16-33(35)34-17-12-14-19-36(34)37;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h11-14,16-27H,2-10,15,28H2,1H3;1-8,13H.
What are the key properties of 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole?
9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole has a molecular weight of 670.94 g/mol, XLogP of 14.07, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole is sourced from PubChem (CID 161246536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).