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

C163H103F3N12O2 — CID 158604067

IUPAC4-(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
SMILESCOc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c4ccc5ccccc5c4n3)cc2)c1.COc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4ccc5ccccc5c4n3)cc2)c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1
InChIInChI=1S/C59H35F3N4.C55H36N4O.C49H32N4O/c60-59(61,62)43-27-23-36-21-22-41(31-42(36)32-43)58-63-56(49-28-24-37-11-4-5-16-46(37)57(49)64-58)40-12-10-15-45(33-40)66-53-20-9-7-18-48(53)51-35-39(26-30-55(51)66)38-25-29-54-50(34-38)47-17-6-8-19-52(47)65(54)44-13-2-1-3-14-44;1-60-40-18-11-15-38(34-40)35-28-30-37(31-29-35)54-56-53-41-19-6-5-14-36(41)32-33-46(53)55(57-54)59-48-25-10-8-21-45(48)52-43(23-13-27-50(52)59)42-22-12-26-49-51(42)44-20-7-9-24-47(44)58(49)39-16-3-2-4-17-39;1-54-36-13-10-12-34(29-36)31-21-23-33(24-22-31)48-50-47-37-14-3-2-11-32(37)25-27-41(47)49(51-48)53-45-20-9-6-17-40(45)42-30-35(26-28-46(42)53)52-43-18-7-4-15-38(43)39-16-5-8-19-44(39)52/h1-35H;2-34H,1H3;2-30H,1H3
InChIKeyHVZOMAHZDVGYPC-UHFFFAOYSA-N
MW2318.69 g/mol
LogP42.46
Rot. Bonds16

About 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

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 (PubChem CID 158604067) has the molecular formula C163H103F3N12O2 and a molecular weight of 2318.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158604067
Molecular FormulaC163H103F3N12O2
Molecular Weight2318.69 g/mol
Exact Mass2316.83
IUPAC Name4-(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
SMILESCOc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c4ccc5ccccc5c4n3)cc2)c1.COc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4ccc5ccccc5c4n3)cc2)c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1
InChIInChI=1S/C59H35F3N4.C55H36N4O.C49H32N4O/c60-59(61,62)43-27-23-36-21-22-41(31-42(36)32-43)58-63-56(49-28-24-37-11-4-5-16-46(37)57(49)64-58)40-12-10-15-45(33-40)66-53-20-9-7-18-48(53)51-35-39(26-30-55(51)66)38-25-29-54-50(34-38)47-17-6-8-19-52(47)65(54)44-13-2-1-3-14-44;1-60-40-18-11-15-38(34-40)35-28-30-37(31-29-35)54-56-53-41-19-6-5-14-36(41)32-33-46(53)55(57-54)59-48-25-10-8-21-45(48)52-43(23-13-27-50(52)59)42-22-12-26-49-51(42)44-20-7-9-24-47(44)58(49)39-16-3-2-4-17-39;1-54-36-13-10-12-34(29-36)31-21-23-33(24-22-31)48-50-47-37-14-3-2-11-32(37)25-27-41(47)49(51-48)53-45-20-9-6-17-40(45)42-30-35(26-28-46(42)53)52-43-18-7-4-15-38(43)39-16-5-8-19-44(39)52/h1-35H;2-34H,1H3;2-30H,1H3
InChIKeyHVZOMAHZDVGYPC-UHFFFAOYSA-N
XLogP42.46
TPSA125.38 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002318.69
LogP ≤ 542.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625
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
9-[4-Dibenzofuran-1-yl-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-2,7-dicarbonitrile;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 157522770
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
9-[4-Dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 157987448
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
10-[2,5-Bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile
CID 158341768
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
2,7-Bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158902569

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c4ccc5ccccc5c4n3)cc2)c1.COc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c4ccc5ccccc5c4n3)cc2)c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1.
What is the InChIKey of 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?
The InChIKey is HVZOMAHZDVGYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35F3N4.C55H36N4O.C49H32N4O/c60-59(61,62)43-27-23-36-21-22-41(31-42(36)32-43)58-63-56(49-28-24-37-11-4-5-16-46(37)57(49)64-58)40-12-10-15-45(33-40)66-53-20-9-7-18-48(53)51-35-39(26-30-55(51)66)38-25-29-54-50(34-38)47-17-6-8-19-52(47)65(54)44-13-2-1-3-14-44;1-60-40-18-11-15-38(34-40)35-28-30-37(31-29-35)54-56-53-41-19-6-5-14-36(41)32-33-46(53)55(57-54)59-48-25-10-8-21-45(48)52-43(23-13-27-50(52)59)42-22-12-26-49-51(42)44-20-7-9-24-47(44)58(49)39-16-3-2-4-17-39;1-54-36-13-10-12-34(29-36)31-21-23-33(24-22-31)48-50-47-37-14-3-2-11-32(37)25-27-41(47)49(51-48)53-45-20-9-6-17-40(45)42-30-35(26-28-46(42)53)52-43-18-7-4-15-38(43)39-16-5-8-19-44(39)52/h1-35H;2-34H,1H3;2-30H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2318.69 g/mol, XLogP of 42.46, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158604067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).