11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

C50H32N4 — CID 138533190

IUPAC11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc3nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)nc(-c4ccccc4)c23)cc1
InChIInChI=1S/C50H32N4/c1-4-15-33(16-5-1)38-23-14-24-43-48(38)49(34-17-6-2-7-18-34)52-50(51-43)35-27-29-37(30-28-35)54-45-26-13-11-22-40(45)42-31-46-41(32-47(42)54)39-21-10-12-25-44(39)53(46)36-19-8-3-9-20-36/h1-32H
InChIKeyDHXKRSYVKKWRNF-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 138533190) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID138533190
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc3nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)nc(-c4ccccc4)c23)cc1
InChIInChI=1S/C50H32N4/c1-4-15-33(16-5-1)38-23-14-24-43-48(38)49(34-17-6-2-7-18-34)52-50(51-43)35-27-29-37(30-28-35)54-45-26-13-11-22-40(45)42-31-46-41(32-47(42)54)39-21-10-12-25-44(39)53(46)36-19-8-3-9-20-36/h1-32H
InChIKeyDHXKRSYVKKWRNF-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 166584523
5-phenyl-11-[3-[4-phenyl-7-[3-[4-[2-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-8-[4-[4-[5-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]quinazolin-4-yl]phenyl]phenyl]quinazolin-4-yl]phenyl]phenyl]quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 138533108
20-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 166584758
3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434535
5-phenyl-11-[2-phenyl-5-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 138533187
3-(9-phenylcarbazol-3-yl)-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434517
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-triphenylen-1-ylphenyl)indolo[3,2-b]carbazole
CID 170542420
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325819
9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062784
10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146549877

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole (CID 138533190) is 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is c1ccc(-c2cccc3nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)nc(-c4ccccc4)c23)cc1.
What is the InChIKey of 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is DHXKRSYVKKWRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-4-15-33(16-5-1)38-23-14-24-43-48(38)49(34-17-6-2-7-18-34)52-50(51-43)35-27-29-37(30-28-35)54-45-26-13-11-22-40(45)42-31-46-41(32-47(42)54)39-21-10-12-25-44(39)53(46)36-19-8-3-9-20-36/h1-32H.
What are the key properties of 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole?
11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 138533190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).