11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole

C62H39N5 — CID 67701976

IUPAC11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C62H39N5/c1-4-16-40(17-5-1)59-51-24-10-13-25-54(51)63-62(64-59)41-28-32-46(33-29-41)67-58-37-31-43(42-30-36-57-52(38-42)48-23-12-14-26-55(48)65(57)44-18-6-2-7-19-44)39-53(58)50-35-34-49-47-22-11-15-27-56(47)66(60(49)61(50)67)45-20-8-3-9-21-45/h1-39H
InChIKeyCBQNTGTVUPTLEO-UHFFFAOYSA-N
MW854.03 g/mol
LogP15.92
Rot. Bonds6

About 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole

11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 67701976) has the molecular formula C62H39N5 and a molecular weight of 854.03 g/mol. Its IUPAC name is 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
PubChem CID67701976
Molecular FormulaC62H39N5
Molecular Weight854.03 g/mol
Exact Mass853.32
IUPAC Name11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C62H39N5/c1-4-16-40(17-5-1)59-51-24-10-13-25-54(51)63-62(64-59)41-28-32-46(33-29-41)67-58-37-31-43(42-30-36-57-52(38-42)48-23-12-14-26-55(48)65(57)44-18-6-2-7-19-44)39-53(58)50-35-34-49-47-22-11-15-27-56(47)66(60(49)61(50)67)45-20-8-3-9-21-45/h1-39H
InChIKeyCBQNTGTVUPTLEO-UHFFFAOYSA-N
XLogP15.92
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.03
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
5-(4-phenylphenyl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 135166213
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
28-phenyl-23-[22-phenyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-6-yl]-14-[4-(4-phenylquinazolin-2-yl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaene
CID 138533201

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole (CID 67701976) is 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is CBQNTGTVUPTLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N5/c1-4-16-40(17-5-1)59-51-24-10-13-25-54(51)63-62(64-59)41-28-32-46(33-29-41)67-58-37-31-43(42-30-36-57-52(38-42)48-23-12-14-26-55(48)65(57)44-18-6-2-7-19-44)39-53(58)50-35-34-49-47-22-11-15-27-56(47)66(60(49)61(50)67)45-20-8-3-9-21-45/h1-39H.
What are the key properties of 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole?
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 854.03 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 67701976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).