11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole

C48H31N3 — CID 164800329

IUPAC11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c43)c2)cc1
InChIInChI=1S/C48H31N3/c1-3-15-32(16-4-1)33-17-13-20-35(31-33)50-43-26-11-7-21-36(43)39-24-14-28-45(46(39)50)51-44-27-12-9-23-38(44)41-30-29-40-37-22-8-10-25-42(37)49(47(40)48(41)51)34-18-5-2-6-19-34/h1-31H
InChIKeyQTNQFRCRNVCMCM-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.64
Rot. Bonds4

About 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole

11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole (PubChem CID 164800329) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
PubChem CID164800329
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c43)c2)cc1
InChIInChI=1S/C48H31N3/c1-3-15-32(16-4-1)33-17-13-20-35(31-33)50-43-26-11-7-21-36(43)39-24-14-28-45(46(39)50)51-44-27-12-9-23-38(44)41-30-29-40-37-22-8-10-25-42(37)49(47(40)48(41)51)34-18-5-2-6-19-34/h1-31H
InChIKeyQTNQFRCRNVCMCM-UHFFFAOYSA-N
XLogP12.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901505
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole (CID 164800329) is 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c43)c2)cc1.
What is the InChIKey of 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole?
The InChIKey is QTNQFRCRNVCMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-3-15-32(16-4-1)33-17-13-20-35(31-33)50-43-26-11-7-21-36(43)39-24-14-28-45(46(39)50)51-44-27-12-9-23-38(44)41-30-29-40-37-22-8-10-25-42(37)49(47(40)48(41)51)34-18-5-2-6-19-34/h1-31H.
What are the key properties of 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole?
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 164800329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).