5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole

C51H32N4 — CID 71291270

IUPAC5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)nc5ccccc45)ccc32)cc1
InChIInChI=1S/C51H32N4/c1-3-15-34(16-4-1)53-44-24-12-9-21-38(44)42-31-33(27-29-47(42)53)41-32-49(52-43-23-11-7-19-36(41)43)55-45-25-13-8-20-37(45)39-28-30-48-50(51(39)55)40-22-10-14-26-46(40)54(48)35-17-5-2-6-18-35/h1-32H
InChIKeyXTZSXJWBOWZCNT-UHFFFAOYSA-N
MW700.85 g/mol
LogP13.19
Rot. Bonds4

About 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole

5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole (PubChem CID 71291270) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole
PubChem CID71291270
Molecular FormulaC51H32N4
Molecular Weight700.85 g/mol
Exact Mass700.26
IUPAC Name5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)nc5ccccc45)ccc32)cc1
InChIInChI=1S/C51H32N4/c1-3-15-34(16-4-1)53-44-24-12-9-21-38(44)42-31-33(27-29-47(42)53)41-32-49(52-43-23-11-7-19-36(41)43)55-45-25-13-8-20-37(45)39-28-30-48-50(51(39)55)40-22-10-14-26-46(40)54(48)35-17-5-2-6-18-35/h1-32H
InChIKeyXTZSXJWBOWZCNT-UHFFFAOYSA-N
XLogP13.19
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
CID 138475094
9-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylquinolin-2-yl)carbazole
CID 154938716
7-[4-(6,9-diphenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
CID 158696637
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
7-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-3-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326706
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 161306805
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123341

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole (CID 71291270) is 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)nc5ccccc45)ccc32)cc1.
What is the InChIKey of 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is XTZSXJWBOWZCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-3-15-34(16-4-1)53-44-24-12-9-21-38(44)42-31-33(27-29-47(42)53)41-32-49(52-43-23-11-7-19-36(41)43)55-45-25-13-8-20-37(45)39-28-30-48-50(51(39)55)40-22-10-14-26-46(40)54(48)35-17-5-2-6-18-35/h1-32H.
What are the key properties of 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole?
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 700.85 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 71291270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).