10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline

C78H63N9 — CID 134191334

IUPAC10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1nc2ccccc2c2nc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(c5)nc5c7ccccc7nc(C(C)(C)C)n65)cc(-c5ccccc5-c5ccc6c(c5)nc5c7ccccc7nc(C(C)(C)C)n65)c4)ccc3n12
InChIInChI=1S/C78H63N9/c1-76(2,3)73-82-61-31-19-16-28-58(61)70-79-64-43-46(34-37-67(64)85(70)73)52-22-10-13-25-55(52)49-40-50(56-26-14-11-23-53(56)47-35-38-68-65(44-47)80-71-59-29-17-20-32-62(59)83-74(86(68)71)77(4,5)6)42-51(41-49)57-27-15-12-24-54(57)48-36-39-69-66(45-48)81-72-60-30-18-21-33-63(60)84-75(87(69)72)78(7,8)9/h10-45H,1-9H3
InChIKeyABICVUPYSRTRHJ-UHFFFAOYSA-N
MW1126.43 g/mol
LogP19.63
Rot. Bonds6

About 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline

10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline (PubChem CID 134191334) has the molecular formula C78H63N9 and a molecular weight of 1126.43 g/mol. Its IUPAC name is 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline
PubChem CID134191334
Molecular FormulaC78H63N9
Molecular Weight1126.43 g/mol
Exact Mass1125.52
IUPAC Name10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline
SMILESCC(C)(C)c1nc2ccccc2c2nc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(c5)nc5c7ccccc7nc(C(C)(C)C)n65)cc(-c5ccccc5-c5ccc6c(c5)nc5c7ccccc7nc(C(C)(C)C)n65)c4)ccc3n12
InChIInChI=1S/C78H63N9/c1-76(2,3)73-82-61-31-19-16-28-58(61)70-79-64-43-46(34-37-67(64)85(70)73)52-22-10-13-25-55(52)49-40-50(56-26-14-11-23-53(56)47-35-38-68-65(44-47)80-71-59-29-17-20-32-62(59)83-74(86(68)71)77(4,5)6)42-51(41-49)57-27-15-12-24-54(57)48-36-39-69-66(45-48)81-72-60-30-18-21-33-63(60)84-75(87(69)72)78(7,8)9/h10-45H,1-9H3
InChIKeyABICVUPYSRTRHJ-UHFFFAOYSA-N
XLogP19.63
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.43
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline with MolForge

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Related Compounds

20-tert-butyl-16-[2-[3-[2-(20-tert-butyl-5,5,7,7-tetramethyl-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2(10),3,8,11,13(18),14,16,19-octaen-16-yl)phenyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-5,5,7,7-tetramethyl-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2(10),3,8,11,13(18),14,16,19-octaene
CID 166806204
butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
CID 144768129
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
CID 144782045
6-tert-butyl-9-[3-(3,5-diphenylphenyl)phenyl]-5,7,15-triazahexacyclo[17.2.2.02,18.04,16.05,14.08,13]tricosa-2,4(16),6,8(13),9,11,14,17-octaene
CID 140756513
10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)naphthalen-1-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58281870
6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
CID 70652129
6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604455
10-naphthalen-1-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038272
3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
CID 70651033
6-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline
CID 122593126

Frequently Asked Questions

What is the IUPAC name of 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline (CID 134191334) is 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline is CC(C)(C)c1nc2ccccc2c2nc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(c5)nc5c7ccccc7nc(C(C)(C)C)n65)cc(-c5ccccc5-c5ccc6c(c5)nc5c7ccccc7nc(C(C)(C)C)n65)c4)ccc3n12.
What is the InChIKey of 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline?
The InChIKey is ABICVUPYSRTRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H63N9/c1-76(2,3)73-82-61-31-19-16-28-58(61)70-79-64-43-46(34-37-67(64)85(70)73)52-22-10-13-25-55(52)49-40-50(56-26-14-11-23-53(56)47-35-38-68-65(44-47)80-71-59-29-17-20-32-62(59)83-74(86(68)71)77(4,5)6)42-51(41-49)57-27-15-12-24-54(57)48-36-39-69-66(45-48)81-72-60-30-18-21-33-63(60)84-75(87(69)72)78(7,8)9/h10-45H,1-9H3.
What are the key properties of 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline?
10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline has a molecular weight of 1126.43 g/mol, XLogP of 19.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134191334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).