5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole

C34H28N2 — CID 118504654

IUPAC5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
SMILESCCCCc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C34H28N2/c1-2-3-11-24-18-20-26(21-19-24)35-31-17-10-8-15-29(31)33-32(35)23-22-28-27-14-7-9-16-30(27)36(34(28)33)25-12-5-4-6-13-25/h4-10,12-23H,2-3,11H2,1H3
InChIKeyYULNNRGVAUBKPI-UHFFFAOYSA-N
MW464.61 g/mol
LogP9.22
Rot. Bonds5

About 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole

5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 118504654) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
PubChem CID118504654
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole
SMILESCCCCc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C34H28N2/c1-2-3-11-24-18-20-26(21-19-24)35-31-17-10-8-15-29(31)33-32(35)23-22-28-27-14-7-9-16-30(27)36(34(28)33)25-12-5-4-6-13-25/h4-10,12-23H,2-3,11H2,1H3
InChIKeyYULNNRGVAUBKPI-UHFFFAOYSA-N
XLogP9.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-[3-(3-butylcarbazol-9-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170176958
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
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 170177004
12-phenyl-5-(4-propan-2-ylphenyl)indolo[3,2-c]carbazole
CID 129035098
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
12-[4-(6-butyldibenzofuran-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 170176907
9-(4-ethylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118689637
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole (CID 118504654) is 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole is CCCCc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is YULNNRGVAUBKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-2-3-11-24-18-20-26(21-19-24)35-31-17-10-8-15-29(31)33-32(35)23-22-28-27-14-7-9-16-30(27)36(34(28)33)25-12-5-4-6-13-25/h4-10,12-23H,2-3,11H2,1H3.
What are the key properties of 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole?
5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole has a molecular weight of 464.61 g/mol, XLogP of 9.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 118504654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).