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

C228H162N18 — CID 160851371

IUPAC6,8-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)nc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4c3)cc21
InChIInChI=1S/3C76H54N6/c1-75(2)62-31-19-17-29-56(62)58-37-33-49(43-64(58)75)53-41-60(50-34-38-59-57-30-18-20-32-63(57)76(3,4)65(59)44-50)71-61(42-53)70(51-35-39-68-66(45-51)77-73(47-21-9-5-10-22-47)81(68)54-25-13-7-14-26-54)79-72(80-71)52-36-40-69-67(46-52)78-74(48-23-11-6-12-24-48)82(69)55-27-15-8-16-28-55;1-75(2)62-25-13-11-23-56(62)58-41-35-51(45-64(58)75)53-43-60(52-36-42-59-57-24-12-14-26-63(57)76(3,4)65(59)46-52)71-61(44-53)70(47-31-37-54(38-32-47)81-68-29-17-15-27-66(68)77-73(81)49-19-7-5-8-20-49)79-72(80-71)48-33-39-55(40-34-48)82-69-30-18-16-28-67(69)78-74(82)50-21-9-6-10-22-50;1-75(2)62-25-13-11-23-56(62)58-41-39-51(45-64(58)75)53-43-60(52-40-42-59-57-24-12-14-26-63(57)76(3,4)65(59)46-52)71-61(44-53)70(47-31-35-49(36-32-47)73-77-66-27-15-17-29-68(66)81(73)54-19-7-5-8-20-54)79-72(80-71)48-33-37-50(38-34-48)74-78-67-28-16-18-30-69(67)82(74)55-21-9-6-10-22-55/h3*5-46H,1-4H3
InChIKeySJHNYUWRMKJOKM-UHFFFAOYSA-N
MW3153.93 g/mol
LogP56.77
Rot. Bonds24

About 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

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 (PubChem CID 160851371) has the molecular formula C228H162N18 and a molecular weight of 3153.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,8-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
PubChem CID160851371
Molecular FormulaC228H162N18
Molecular Weight3153.93 g/mol
Exact Mass3151.32
IUPAC Name6,8-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)nc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4c3)cc21
InChIInChI=1S/3C76H54N6/c1-75(2)62-31-19-17-29-56(62)58-37-33-49(43-64(58)75)53-41-60(50-34-38-59-57-30-18-20-32-63(57)76(3,4)65(59)44-50)71-61(42-53)70(51-35-39-68-66(45-51)77-73(47-21-9-5-10-22-47)81(68)54-25-13-7-14-26-54)79-72(80-71)52-36-40-69-67(46-52)78-74(48-23-11-6-12-24-48)82(69)55-27-15-8-16-28-55;1-75(2)62-25-13-11-23-56(62)58-41-35-51(45-64(58)75)53-43-60(52-36-42-59-57-24-12-14-26-63(57)76(3,4)65(59)46-52)71-61(44-53)70(47-31-37-54(38-32-47)81-68-29-17-15-27-66(68)77-73(81)49-19-7-5-8-20-49)79-72(80-71)48-33-39-55(40-34-48)82-69-30-18-16-28-67(69)78-74(82)50-21-9-6-10-22-50;1-75(2)62-25-13-11-23-56(62)58-41-39-51(45-64(58)75)53-43-60(52-40-42-59-57-24-12-14-26-63(57)76(3,4)65(59)46-52)71-61(44-53)70(47-31-35-49(36-32-47)73-77-66-27-15-17-29-68(66)81(73)54-19-7-5-8-20-54)79-72(80-71)48-33-37-50(38-34-48)74-78-67-28-16-18-30-69(67)82(74)55-21-9-6-10-22-55/h3*5-46H,1-4H3
InChIKeySJHNYUWRMKJOKM-UHFFFAOYSA-N
XLogP56.77
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003153.93
LogP ≤ 556.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

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
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 157055848
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
2-(9,9-dimethylfluoren-4-yl)-4-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]quinazoline
CID 135298558
8,10-bis(9,9-dimethylfluoren-2-yl)-2-(1-phenylbenzimidazol-2-yl)-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]isoquinolino[2,1-a]quinazolin-11-ium
CID 123394569
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole
CID 162005759
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole
CID 164783517

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)nc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)nc(-c5ccc(-n6c(-c7ccccc7)nc7ccccc76)cc5)c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)nc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4c3)cc21.
What is the InChIKey of 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?
The InChIKey is SJHNYUWRMKJOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C76H54N6/c1-75(2)62-31-19-17-29-56(62)58-37-33-49(43-64(58)75)53-41-60(50-34-38-59-57-30-18-20-32-63(57)76(3,4)65(59)44-50)71-61(42-53)70(51-35-39-68-66(45-51)77-73(47-21-9-5-10-22-47)81(68)54-25-13-7-14-26-54)79-72(80-71)52-36-40-69-67(46-52)78-74(48-23-11-6-12-24-48)82(69)55-27-15-8-16-28-55;1-75(2)62-25-13-11-23-56(62)58-41-35-51(45-64(58)75)53-43-60(52-36-42-59-57-24-12-14-26-63(57)76(3,4)65(59)46-52)71-61(44-53)70(47-31-37-54(38-32-47)81-68-29-17-15-27-66(68)77-73(81)49-19-7-5-8-20-49)79-72(80-71)48-33-39-55(40-34-48)82-69-30-18-16-28-67(69)78-74(82)50-21-9-6-10-22-50;1-75(2)62-25-13-11-23-56(62)58-41-39-51(45-64(58)75)53-43-60(52-40-42-59-57-24-12-14-26-63(57)76(3,4)65(59)46-52)71-61(44-53)70(47-31-35-49(36-32-47)73-77-66-27-15-17-29-68(66)81(73)54-19-7-5-8-20-54)79-72(80-71)48-33-37-50(38-34-48)74-78-67-28-16-18-30-69(67)82(74)55-21-9-6-10-22-55/h3*5-46H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3153.93 g/mol, XLogP of 56.77, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160851371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).