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

C124H74F6N8 — CID 159453366

IUPAC4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
SMILESFC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1
InChIInChI=1S/C71H43F3N4.C53H31F3N4/c72-71(73,74)55-31-25-46-23-24-53(37-54(46)38-55)70-75-68(59-32-26-47-17-10-11-22-58(47)69(59)76-70)52-18-12-21-57(39-52)78-66-34-28-49(45-15-6-2-7-16-45)41-61(66)63-43-51(30-36-67(63)78)50-29-35-65-62(42-50)60-40-48(44-13-4-1-5-14-44)27-33-64(60)77(65)56-19-8-3-9-20-56;54-53(55,56)37-24-22-32-20-21-35(28-36(32)29-37)52-57-50(44-26-23-33-10-1-2-13-40(33)51(44)58-52)34-11-9-12-38(30-34)59-48-19-8-5-16-43(48)45-31-39(25-27-49(45)59)60-46-17-6-3-14-41(46)42-15-4-7-18-47(42)60/h1-43H;1-31H
InChIKeyLTQTYQGEIVVZJZ-UHFFFAOYSA-N
MW1790.00 g/mol
LogP33.97
Rot. Bonds11

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

4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline (PubChem CID 159453366) has the molecular formula C124H74F6N8 and a molecular weight of 1790.00 g/mol. Its IUPAC name is 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline.

Molecular Properties

Compound Name4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
PubChem CID159453366
Molecular FormulaC124H74F6N8
Molecular Weight1790.00 g/mol
Exact Mass1788.59
IUPAC Name4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
SMILESFC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1
InChIInChI=1S/C71H43F3N4.C53H31F3N4/c72-71(73,74)55-31-25-46-23-24-53(37-54(46)38-55)70-75-68(59-32-26-47-17-10-11-22-58(47)69(59)76-70)52-18-12-21-57(39-52)78-66-34-28-49(45-15-6-2-7-16-45)41-61(66)63-43-51(30-36-67(63)78)50-29-35-65-62(42-50)60-40-48(44-13-4-1-5-14-44)27-33-64(60)77(65)56-19-8-3-9-20-56;54-53(55,56)37-24-22-32-20-21-35(28-36(32)29-37)52-57-50(44-26-23-33-10-1-2-13-40(33)51(44)58-52)34-11-9-12-38(30-34)59-48-19-8-5-16-43(48)45-31-39(25-27-49(45)59)60-46-17-6-3-14-41(46)42-15-4-7-18-47(42)60/h1-43H;1-31H
InChIKeyLTQTYQGEIVVZJZ-UHFFFAOYSA-N
XLogP33.97
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001790.00
LogP ≤ 533.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
CID 121401702
4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
CID 121401704
4-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline
CID 121401693
2,4-bis[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzo[h]quinazoline
CID 121401985
2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline
CID 121401714
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028
2-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-[3,5-bis(trifluoromethyl)phenyl]benzo[h]quinazoline
CID 121404353
4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-phenylbenzo[h]quinazoline
CID 121401961
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121402159
2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121401678
17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 165041303

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline?
The IUPAC name of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline (CID 159453366) is 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline.
What is the SMILES notation for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline?
The canonical SMILES for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline is FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccccc7)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1.FC(F)(F)c1ccc2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c4ccc5ccccc5c4n3)cc2c1.
What is the InChIKey of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline?
The InChIKey is LTQTYQGEIVVZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43F3N4.C53H31F3N4/c72-71(73,74)55-31-25-46-23-24-53(37-54(46)38-55)70-75-68(59-32-26-47-17-10-11-22-58(47)69(59)76-70)52-18-12-21-57(39-52)78-66-34-28-49(45-15-6-2-7-16-45)41-61(66)63-43-51(30-36-67(63)78)50-29-35-65-62(42-50)60-40-48(44-13-4-1-5-14-44)27-33-64(60)77(65)56-19-8-3-9-20-56;54-53(55,56)37-24-22-32-20-21-35(28-36(32)29-37)52-57-50(44-26-23-33-10-1-2-13-40(33)51(44)58-52)34-11-9-12-38(30-34)59-48-19-8-5-16-43(48)45-31-39(25-27-49(45)59)60-46-17-6-3-14-41(46)42-15-4-7-18-47(42)60/h1-43H;1-31H.
What are the key properties of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline?
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline has a molecular weight of 1790.00 g/mol, XLogP of 33.97, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline;4-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-2-[7-(trifluoromethyl)naphthalen-2-yl]benzo[h]quinazoline is sourced from PubChem (CID 159453366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).