2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline

C187H127F3N12 — CID 158533504

IUPAC2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
SMILESCC(C)(C)c1cccc(-c2nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc3)c3ccc4ccccc4c3n2)c1.CC(C)(C)c1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccc4ccccc4c3n2)c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)c4ccc5ccccc5c4n3)cc2c1
InChIInChI=1S/C70H50N4.C59H35F3N4.C58H42N4/c1-70(2,3)54-22-15-21-53(40-54)69-71-67(58-35-28-47-20-13-14-25-57(47)68(58)72-69)48-26-33-56(34-27-48)74-65-37-30-50(46-18-9-5-10-19-46)42-60(65)62-44-52(32-39-66(62)74)51-31-38-64-61(43-51)59-41-49(45-16-7-4-8-17-45)29-36-63(59)73(64)55-23-11-6-12-24-55;60-59(61,62)41-31-29-36-27-28-39(33-40(36)34-41)58-63-56(49-32-30-37-13-4-5-18-44(37)57(49)64-58)38-14-10-17-43(35-38)66-51-24-9-7-20-48(51)55-46(22-12-26-53(55)66)45-21-11-25-52-54(45)47-19-6-8-23-50(47)65(52)42-15-2-1-3-16-42;1-58(2,3)42-16-13-15-41(34-42)57-59-55(48-31-26-37-14-7-8-19-45(37)56(48)60-57)38-24-29-44(30-25-38)62-52-23-12-10-21-47(52)50-36-40(28-33-54(50)62)39-27-32-53-49(35-39)46-20-9-11-22-51(46)61(53)43-17-5-4-6-18-43/h4-44H,1-3H3;1-35H;4-36H,1-3H3
InChIKeyHNQXGDCJKHKMSN-UHFFFAOYSA-N
MW2599.15 g/mol
LogP50.04
Rot. Bonds17

About 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline

2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline (PubChem CID 158533504) has the molecular formula C187H127F3N12 and a molecular weight of 2599.15 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
PubChem CID158533504
Molecular FormulaC187H127F3N12
Molecular Weight2599.15 g/mol
Exact Mass2597.03
IUPAC Name2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
SMILESCC(C)(C)c1cccc(-c2nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc3)c3ccc4ccccc4c3n2)c1.CC(C)(C)c1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccc4ccccc4c3n2)c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)c4ccc5ccccc5c4n3)cc2c1
InChIInChI=1S/C70H50N4.C59H35F3N4.C58H42N4/c1-70(2,3)54-22-15-21-53(40-54)69-71-67(58-35-28-47-20-13-14-25-57(47)68(58)72-69)48-26-33-56(34-27-48)74-65-37-30-50(46-18-9-5-10-19-46)42-60(65)62-44-52(32-39-66(62)74)51-31-38-64-61(43-51)59-41-49(45-16-7-4-8-17-45)29-36-63(59)73(64)55-23-11-6-12-24-55;60-59(61,62)41-31-29-36-27-28-39(33-40(36)34-41)58-63-56(49-32-30-37-13-4-5-18-44(37)57(49)64-58)38-14-10-17-43(35-38)66-51-24-9-7-20-48(51)55-46(22-12-26-53(55)66)45-21-11-25-52-54(45)47-19-6-8-23-50(47)65(52)42-15-2-1-3-16-42;1-58(2,3)42-16-13-15-41(34-42)57-59-55(48-31-26-37-14-7-8-19-45(37)56(48)60-57)38-24-29-44(30-25-38)62-52-23-12-10-21-47(52)50-36-40(28-33-54(50)62)39-27-32-53-49(35-39)46-20-9-11-22-51(46)61(53)43-17-5-4-6-18-43/h4-44H,1-3H3;1-35H;4-36H,1-3H3
InChIKeyHNQXGDCJKHKMSN-UHFFFAOYSA-N
XLogP50.04
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002599.15
LogP ≤ 550.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline with MolForge

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Related Compounds

7,18-Bis[2-(trifluoromethyl)phenyl]-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 139091739
4-(3-Phenylphenanthro[9,10-d]imidazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole
CID 168340135
6-(3-Indolo[1,2-c]quinazolin-6-ylnaphthalen-2-yl)indolo[1,2-c]quinazoline
CID 45276790
9-(4-(Naphthalen-1-yl)quinazolin-2-yl)-9'-phenyl-9h,9'h-3,3'-bicarbazole
CID 117880961
3-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[3-(2,2,2-trifluoroethyl)phenyl]carbazole
CID 58511268
9-[3-[6-(4-Carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-[3-(2-fluoroethyl)carbazol-9-yl]phenyl]-3-(2-fluoroethyl)carbazole
CID 58526864
9-[3-Carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(3,5-difluorophenyl)pyrimidin-4-yl]phenyl]carbazole
CID 58526871
9-[4-[6-[3,5-Di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3-fluorocarbazole
CID 58526952
9-[4-[6-[3,5-Di(carbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3,6-difluorocarbazole
CID 58526966
5-Cyclohexa-1,3-dien-1-yl-7-[4-(4-fluorocyclohexa-1,5-dien-1-yl)quinazolin-2-yl]-10-(9-phenyl-5,6-dihydrocarbazol-3-yl)benzo[c]carbazole
CID 66807685
9-[4-(2,6-Diphenylpyrimidin-4-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole
CID 67952386
3-[4-(10-Fluorobenzo[c]carbazol-7-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,19-diphenyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 68232743

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline?
The IUPAC name of 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline (CID 158533504) is 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline.
What is the SMILES notation for 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline?
The canonical SMILES for 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline is CC(C)(C)c1cccc(-c2nc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)cc3)c3ccc4ccccc4c3n2)c1.CC(C)(C)c1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccc4ccccc4c3n2)c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)c4ccc5ccccc5c4n3)cc2c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline?
The InChIKey is HNQXGDCJKHKMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N4.C59H35F3N4.C58H42N4/c1-70(2,3)54-22-15-21-53(40-54)69-71-67(58-35-28-47-20-13-14-25-57(47)68(58)72-69)48-26-33-56(34-27-48)74-65-37-30-50(46-18-9-5-10-19-46)42-60(65)62-44-52(32-39-66(62)74)51-31-38-64-61(43-51)59-41-49(45-16-7-4-8-17-45)29-36-63(59)73(64)55-23-11-6-12-24-55;60-59(61,62)41-31-29-36-27-28-39(33-40(36)34-41)58-63-56(49-32-30-37-13-4-5-18-44(37)57(49)64-58)38-14-10-17-43(35-38)66-51-24-9-7-20-48(51)55-46(22-12-26-53(55)66)45-21-11-25-52-54(45)47-19-6-8-23-50(47)65(52)42-15-2-1-3-16-42;1-58(2,3)42-16-13-15-41(34-42)57-59-55(48-31-26-37-14-7-8-19-45(37)56(48)60-57)38-24-29-44(30-25-38)62-52-23-12-10-21-47(52)50-36-40(28-33-54(50)62)39-27-32-53-49(35-39)46-20-9-11-22-51(46)61(53)43-17-5-4-6-18-43/h4-44H,1-3H3;1-35H;4-36H,1-3H3.
What are the key properties of 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline?
2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline has a molecular weight of 2599.15 g/mol, XLogP of 50.04, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-4-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[h]quinazoline;2-(3-tert-butylphenyl)-4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline is sourced from PubChem (CID 158533504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).