2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline

C300H182N18 — CID 158500862

IUPAC2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline
SMILESc1ccc(-c2nc3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8c(c7)nc(-c7ccccc7)n8-c7ccccc7)cc6)c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6n5)cc4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4n3)cc2)cc1
InChIInChI=1S/C108H66N6.2C96H58N6/c1-5-25-71(26-6-1)105-109-98-65-74(55-59-100(98)113(105)78-29-9-3-10-30-78)67-45-49-69(50-46-67)102-89-62-77(73-53-57-86-84-37-17-23-43-94(84)107(96(86)63-73)90-39-19-13-33-80(90)81-34-14-20-40-91(81)107)61-88(76-54-58-87-85-38-18-24-44-95(85)108(97(87)64-76)92-41-21-15-35-82(92)83-36-16-22-42-93(83)108)103(89)112-104(111-102)70-51-47-68(48-52-70)75-56-60-101-99(66-75)110-106(72-27-7-2-8-28-72)114(101)79-31-11-4-12-32-79;1-5-25-59(26-6-1)93-97-86-57-63(47-51-88(86)101(93)66-29-9-3-10-30-66)90-77-54-65(61-45-49-74-72-37-17-23-43-82(72)95(84(74)55-61)78-39-19-13-33-68(78)69-34-14-20-40-79(69)95)53-76(62-46-50-75-73-38-18-24-44-83(73)96(85(75)56-62)80-41-21-15-35-70(80)71-36-16-22-42-81(71)96)91(77)100-92(99-90)64-48-52-89-87(58-64)98-94(60-27-7-2-8-28-60)102(89)67-31-11-4-12-32-67;1-3-23-61(24-4-1)93-97-86-39-19-21-41-88(86)101(93)66-49-43-59(44-50-66)90-77-56-65(63-47-53-74-72-31-11-17-37-82(72)95(84(74)57-63)78-33-13-7-27-68(78)69-28-8-14-34-79(69)95)55-76(64-48-54-75-73-32-12-18-38-83(73)96(85(75)58-64)80-35-15-9-29-70(80)71-30-10-16-36-81(71)96)91(77)100-92(99-90)60-45-51-67(52-46-60)102-89-42-22-20-40-87(89)98-94(102)62-25-5-2-6-26-62/h1-66H;2*1-58H
InChIKeyHJWJXIGIEUVODP-UHFFFAOYSA-N
MW4038.88 g/mol
LogP72.32
Rot. Bonds26

About 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline

2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline (PubChem CID 158500862) has the molecular formula C300H182N18 and a molecular weight of 4038.88 g/mol. Its IUPAC name is 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline.

Molecular Properties

Compound Name2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline
PubChem CID158500862
Molecular FormulaC300H182N18
Molecular Weight4038.88 g/mol
Exact Mass4035.48
IUPAC Name2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline
SMILESc1ccc(-c2nc3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8c(c7)nc(-c7ccccc7)n8-c7ccccc7)cc6)c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6n5)cc4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4n3)cc2)cc1
InChIInChI=1S/C108H66N6.2C96H58N6/c1-5-25-71(26-6-1)105-109-98-65-74(55-59-100(98)113(105)78-29-9-3-10-30-78)67-45-49-69(50-46-67)102-89-62-77(73-53-57-86-84-37-17-23-43-94(84)107(96(86)63-73)90-39-19-13-33-80(90)81-34-14-20-40-91(81)107)61-88(76-54-58-87-85-38-18-24-44-95(85)108(97(87)64-76)92-41-21-15-35-82(92)83-36-16-22-42-93(83)108)103(89)112-104(111-102)70-51-47-68(48-52-70)75-56-60-101-99(66-75)110-106(72-27-7-2-8-28-72)114(101)79-31-11-4-12-32-79;1-5-25-59(26-6-1)93-97-86-57-63(47-51-88(86)101(93)66-29-9-3-10-30-66)90-77-54-65(61-45-49-74-72-37-17-23-43-82(72)95(84(74)55-61)78-39-19-13-33-68(78)69-34-14-20-40-79(69)95)53-76(62-46-50-75-73-38-18-24-44-83(73)96(85(75)56-62)80-41-21-15-35-70(80)71-36-16-22-42-81(71)96)91(77)100-92(99-90)64-48-52-89-87(58-64)98-94(60-27-7-2-8-28-60)102(89)67-31-11-4-12-32-67;1-3-23-61(24-4-1)93-97-86-39-19-21-41-88(86)101(93)66-49-43-59(44-50-66)90-77-56-65(63-47-53-74-72-31-11-17-37-82(72)95(84(74)57-63)78-33-13-7-27-68(78)69-28-8-14-34-79(69)95)55-76(64-48-54-75-73-32-12-18-38-83(73)96(85(75)58-64)80-35-15-9-29-70(80)71-30-10-16-36-81(71)96)91(77)100-92(99-90)60-45-51-67(52-46-60)102-89-42-22-20-40-87(89)98-94(102)62-25-5-2-6-26-62/h1-66H;2*1-58H
InChIKeyHJWJXIGIEUVODP-UHFFFAOYSA-N
XLogP72.32
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004038.88
LogP ≤ 572.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline with MolForge

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Related Compounds

6,8-bis(9,9-dimethylfluoren-2-yl)-2,4-bis(1,2-diphenylbenzimidazol-5-yl)quinazoline;6,8-bis(9,9-dimethylfluoren-2-yl)-2,4-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazoline;6,8-bis(9,9-dimethylfluoren-2-yl)-2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazoline
CID 160851371
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 156528656
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 118688264
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394114
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528323
2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 118688217

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The IUPAC name of 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline (CID 158500862) is 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline.
What is the SMILES notation for 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The canonical SMILES for 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline is c1ccc(-c2nc3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8c(c7)nc(-c7ccccc7)n8-c7ccccc7)cc6)c6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6n5)cc4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c5cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c5n4)ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4n3)cc2)cc1.
What is the InChIKey of 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline?
The InChIKey is HJWJXIGIEUVODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H66N6.2C96H58N6/c1-5-25-71(26-6-1)105-109-98-65-74(55-59-100(98)113(105)78-29-9-3-10-30-78)67-45-49-69(50-46-67)102-89-62-77(73-53-57-86-84-37-17-23-43-94(84)107(96(86)63-73)90-39-19-13-33-80(90)81-34-14-20-40-91(81)107)61-88(76-54-58-87-85-38-18-24-44-95(85)108(97(87)64-76)92-41-21-15-35-82(92)83-36-16-22-42-93(83)108)103(89)112-104(111-102)70-51-47-68(48-52-70)75-56-60-101-99(66-75)110-106(72-27-7-2-8-28-72)114(101)79-31-11-4-12-32-79;1-5-25-59(26-6-1)93-97-86-57-63(47-51-88(86)101(93)66-29-9-3-10-30-66)90-77-54-65(61-45-49-74-72-37-17-23-43-82(72)95(84(74)55-61)78-39-19-13-33-68(78)69-34-14-20-40-79(69)95)53-76(62-46-50-75-73-38-18-24-44-83(73)96(85(75)56-62)80-41-21-15-35-70(80)71-36-16-22-42-81(71)96)91(77)100-92(99-90)64-48-52-89-87(58-64)98-94(60-27-7-2-8-28-60)102(89)67-31-11-4-12-32-67;1-3-23-61(24-4-1)93-97-86-39-19-21-41-88(86)101(93)66-49-43-59(44-50-66)90-77-56-65(63-47-53-74-72-31-11-17-37-82(72)95(84(74)57-63)78-33-13-7-27-68(78)69-28-8-14-34-79(69)95)55-76(64-48-54-75-73-32-12-18-38-83(73)96(85(75)58-64)80-35-15-9-29-70(80)71-30-10-16-36-81(71)96)91(77)100-92(99-90)60-45-51-67(52-46-60)102-89-42-22-20-40-87(89)98-94(102)62-25-5-2-6-26-62/h1-66H;2*1-58H.
What are the key properties of 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline?
2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline has a molecular weight of 4038.88 g/mol, XLogP of 72.32, 26 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline is sourced from PubChem (CID 158500862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).