4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline

C177H111F3N12O — CID 159334119

IUPAC4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline
SMILESCOc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)c2)cc1.Cc1cc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2ccc2ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C91H58N6O.C86H53F3N6/c1-98-70-42-35-57(36-43-70)59-20-18-21-64(49-59)91-92-89(76-44-37-58-19-8-9-26-71(58)90(76)93-91)65-50-68(96-83-33-16-12-29-74(83)79-54-62(40-47-87(79)96)60-38-45-85-77(52-60)72-27-10-14-31-81(72)94(85)66-22-4-2-5-23-66)56-69(51-65)97-84-34-17-13-30-75(84)80-55-63(41-48-88(80)97)61-39-46-86-78(53-61)73-28-11-15-32-82(73)95(86)67-24-6-3-7-25-67;1-52-42-58(44-60(43-52)86(87,88)89)83-70-37-32-53-18-8-9-23-65(53)84(70)91-85(90-83)59-45-63(94-77-30-16-12-26-68(77)73-49-56(35-40-81(73)94)54-33-38-79-71(47-54)66-24-10-14-28-75(66)92(79)61-19-4-2-5-20-61)51-64(46-59)95-78-31-17-13-27-69(78)74-50-57(36-41-82(74)95)55-34-39-80-72(48-55)67-25-11-15-29-76(67)93(80)62-21-6-3-7-22-62/h2-56H,1H3;2-51H,1H3
InChIKeyLFHSWPQFNDYAOQ-UHFFFAOYSA-N
MW2478.91 g/mol
LogP46.68
Rot. Bonds18

About 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline

4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline (PubChem CID 159334119) has the molecular formula C177H111F3N12O and a molecular weight of 2478.91 g/mol. Its IUPAC name is 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline.

Molecular Properties

Compound Name4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline
PubChem CID159334119
Molecular FormulaC177H111F3N12O
Molecular Weight2478.91 g/mol
Exact Mass2476.90
IUPAC Name4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline
SMILESCOc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)c2)cc1.Cc1cc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2ccc2ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C91H58N6O.C86H53F3N6/c1-98-70-42-35-57(36-43-70)59-20-18-21-64(49-59)91-92-89(76-44-37-58-19-8-9-26-71(58)90(76)93-91)65-50-68(96-83-33-16-12-29-74(83)79-54-62(40-47-87(79)96)60-38-45-85-77(52-60)72-27-10-14-31-81(72)94(85)66-22-4-2-5-23-66)56-69(51-65)97-84-34-17-13-30-75(84)80-55-63(41-48-88(80)97)61-39-46-86-78(53-61)73-28-11-15-32-82(73)95(86)67-24-6-3-7-25-67;1-52-42-58(44-60(43-52)86(87,88)89)83-70-37-32-53-18-8-9-23-65(53)84(70)91-85(90-83)59-45-63(94-77-30-16-12-26-68(77)73-49-56(35-40-81(73)94)54-33-38-79-71(47-54)66-24-10-14-28-75(66)92(79)61-19-4-2-5-20-61)51-64(46-59)95-78-31-17-13-27-69(78)74-50-57(36-41-82(74)95)55-34-39-80-72(48-55)67-25-11-15-29-76(67)93(80)62-21-6-3-7-22-62/h2-56H,1H3;2-51H,1H3
InChIKeyLFHSWPQFNDYAOQ-UHFFFAOYSA-N
XLogP46.68
TPSA100.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.91
LogP ≤ 546.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-(2,6-Diphenylpyrimidin-4-yl)phenyl]-2-[9-(4-ethoxyphenyl)carbazol-3-yl]-6-fluorocarbazole
CID 90085454
4-[3,5-Bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline
CID 157173920
2-[3,5-Bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2-fluorophenyl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[4-[4-(trifluoromethyl)phenyl]phenyl]benzo[h]quinazoline
CID 157492933
3-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[3-(2,2,2-trifluoroethyl)phenyl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]carbazole;[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-[4-[4-(4-isocyanophenyl)phenyl]-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 157733756
3-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[3-(2,2,2-trifluoroethyl)phenyl]carbazole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-7-phenylbenzo[c]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]carbazole;[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 157945396
2-[10-(dicyanomethylidene)-2,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158171655
2-(2-Methoxyphenyl)-5-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]benzo[e]benzimidazole;2-(4-phenoxyphenyl)-5-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]benzo[e]benzimidazole;2-phenyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[e]benzimidazole;5-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-2-(trifluoromethyl)benzo[e]benzimidazole
CID 158295250
4-(3-Carbazol-9-ylcarbazol-9-yl)-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]benzo[h]quinazoline;4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
CID 158604067
4-(10-Dimethylphosphoryl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaen-11-yl)benzonitrile;4-(10-dimethylphosphoryl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl)benzonitrile;4-[11-(7-dimethylphosphorylnaphthalen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaen-17-yl]benzonitrile;10-dimethylphosphoryl-17-[4-(trifluoromethoxy)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 158611801
3-[8-[9-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(3-isocyanophenyl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole
CID 158734480
3-[3,5-Bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(6-tert-butylnaphthalen-2-yl)benzo[f]quinazoline;1-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline
CID 158936303
2-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-trimethylpyrimidine;12,12-dimethyl-11-[3-(4,5,6-trimethylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[2-(4-isocyanophenyl)naphthalen-1-yl]phenyl]-4,5,6-trimethylpyrimidine;4-[4-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-2,5,6-trimethylpyrimidine
CID 159640647

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline?
The IUPAC name of 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline (CID 159334119) is 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline.
What is the SMILES notation for 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline?
The canonical SMILES for 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline is COc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)c2)cc1.Cc1cc(-c2nc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc3c2ccc2ccccc23)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline?
The InChIKey is LFHSWPQFNDYAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H58N6O.C86H53F3N6/c1-98-70-42-35-57(36-43-70)59-20-18-21-64(49-59)91-92-89(76-44-37-58-19-8-9-26-71(58)90(76)93-91)65-50-68(96-83-33-16-12-29-74(83)79-54-62(40-47-87(79)96)60-38-45-85-77(52-60)72-27-10-14-31-81(72)94(85)66-22-4-2-5-23-66)56-69(51-65)97-84-34-17-13-30-75(84)80-55-63(41-48-88(80)97)61-39-46-86-78(53-61)73-28-11-15-32-82(73)95(86)67-24-6-3-7-25-67;1-52-42-58(44-60(43-52)86(87,88)89)83-70-37-32-53-18-8-9-23-65(53)84(70)91-85(90-83)59-45-63(94-77-30-16-12-26-68(77)73-49-56(35-40-81(73)94)54-33-38-79-71(47-54)66-24-10-14-28-75(66)92(79)61-19-4-2-5-20-61)51-64(46-59)95-78-31-17-13-27-69(78)74-50-57(36-41-82(74)95)55-34-39-80-72(48-55)67-25-11-15-29-76(67)93(80)62-21-6-3-7-22-62/h2-56H,1H3;2-51H,1H3.
What are the key properties of 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline?
4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline has a molecular weight of 2478.91 g/mol, XLogP of 46.68, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzo[h]quinazoline is sourced from PubChem (CID 159334119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).