12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole

C57H34N4 — CID 154596201

IUPAC12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccccc5n4)c32)cc1
InChIInChI=1S/C57H34N4/c1-2-17-35(18-3-1)60-49-31-14-8-21-38(49)39-33-34-51-53(55(39)60)42-24-9-15-32-50(42)61(51)56-58-48-30-13-7-23-41(48)54(59-56)43-25-16-29-47-52(43)40-22-6-12-28-46(40)57(47)44-26-10-4-19-36(44)37-20-5-11-27-45(37)57/h1-34H
InChIKeyGFRRAGNTOWLAAG-UHFFFAOYSA-N
MW774.93 g/mol
LogP13.83
Rot. Bonds3

About 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole

12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole (PubChem CID 154596201) has the molecular formula C57H34N4 and a molecular weight of 774.93 g/mol. Its IUPAC name is 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole
PubChem CID154596201
Molecular FormulaC57H34N4
Molecular Weight774.93 g/mol
Exact Mass774.28
IUPAC Name12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccccc5n4)c32)cc1
InChIInChI=1S/C57H34N4/c1-2-17-35(18-3-1)60-49-31-14-8-21-38(49)39-33-34-51-53(55(39)60)42-24-9-15-32-50(42)61(51)56-58-48-30-13-7-23-41(48)54(59-56)43-25-16-29-47-52(43)40-22-6-12-28-46(40)57(47)44-26-10-4-19-36(44)37-20-5-11-27-45(37)57/h1-34H
InChIKeyGFRRAGNTOWLAAG-UHFFFAOYSA-N
XLogP13.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.93
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,12-diphenyl-11-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 154596185
12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 88887018
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-c]carbazole;12-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole
CID 162053417
15-(15-phenyl-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-undecaen-9-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297374
2'-(5-phenylindolo[3,2-c]carbazol-12-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 162484092
9,9-dimethyl-21-phenyl-18-(4-phenylquinazolin-2-yl)-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635792
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
9-(4-dibenzothiophen-4-ylquinazolin-2-yl)-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672629
9-phenyl-18-(4-phenylquinazolin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672648
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
9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109053
CID 134551656
CID 134551656

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole (CID 154596201) is 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccccc5n4)c32)cc1.
What is the InChIKey of 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is GFRRAGNTOWLAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4/c1-2-17-35(18-3-1)60-49-31-14-8-21-38(49)39-33-34-51-53(55(39)60)42-24-9-15-32-50(42)61(51)56-58-48-30-13-7-23-41(48)54(59-56)43-25-16-29-47-52(43)40-22-6-12-28-46(40)57(47)44-26-10-4-19-36(44)37-20-5-11-27-45(37)57/h1-34H.
What are the key properties of 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole?
12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 774.93 g/mol, XLogP of 13.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-[4-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 154596201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).