1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline

C235H144F4N18O — CID 161048465

IUPAC1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline
SMILESCOc1ccc2ccccc2c1-c1nc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2c(ccc3ccccc32)n1.Cc1ccc(C(F)(F)F)c(-c2nc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c3c(ccc4ccccc43)n2)c1.Fc1cccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c4c(ccc5ccccc54)n3)c2)c1
InChIInChI=1S/C84H51FN6.C77H48N6O.C74H45F3N6/c85-59-22-17-20-54(45-59)53-19-16-21-57(44-53)84-86-73-40-36-52-18-4-5-25-64(52)82(73)83(87-84)58-46-62(50-63(47-58)91-78-35-15-10-30-69(78)72-51-61(39-43-81(72)91)89-74-31-11-6-26-65(74)66-27-7-12-32-75(66)89)90-77-34-14-9-29-68(77)71-49-56(38-42-80(71)90)55-37-41-79-70(48-55)67-28-8-13-33-76(67)88(79)60-23-2-1-3-24-60;1-84-73-41-35-48-19-3-5-21-55(48)75(73)77-78-64-38-34-47-18-2-4-20-54(47)74(64)76(79-77)49-42-52(82-69-32-16-10-26-60(69)62-45-50(36-39-71(62)82)80-65-28-12-6-22-56(65)57-23-7-13-29-66(57)80)44-53(43-49)83-70-33-17-11-27-61(70)63-46-51(37-40-72(63)83)81-67-30-14-8-24-58(67)59-25-9-15-31-68(59)81;1-44-30-34-61(74(75,76)77)60(38-44)73-78-62-35-31-45-16-2-3-17-51(45)71(62)72(79-73)46-39-49(82-67-28-14-8-22-56(67)58-42-47(32-36-69(58)82)80-63-24-10-4-18-52(63)53-19-5-11-25-64(53)80)41-50(40-46)83-68-29-15-9-23-57(68)59-43-48(33-37-70(59)83)81-65-26-12-6-20-54(65)55-21-7-13-27-66(55)81/h1-51H;2-46H,1H3;2-43H,1H3
InChIKeyUBUUKBHRKAHLPI-UHFFFAOYSA-N
MW3311.85 g/mol
LogP61.48
Rot. Bonds21

About 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline

1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline (PubChem CID 161048465) has the molecular formula C235H144F4N18O and a molecular weight of 3311.85 g/mol. Its IUPAC name is 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline.

Molecular Properties

Compound Name1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline
PubChem CID161048465
Molecular FormulaC235H144F4N18O
Molecular Weight3311.85 g/mol
Exact Mass3309.17
IUPAC Name1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline
SMILESCOc1ccc2ccccc2c1-c1nc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2c(ccc3ccccc32)n1.Cc1ccc(C(F)(F)F)c(-c2nc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c3c(ccc4ccccc43)n2)c1.Fc1cccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c4c(ccc5ccccc54)n3)c2)c1
InChIInChI=1S/C84H51FN6.C77H48N6O.C74H45F3N6/c85-59-22-17-20-54(45-59)53-19-16-21-57(44-53)84-86-73-40-36-52-18-4-5-25-64(52)82(73)83(87-84)58-46-62(50-63(47-58)91-78-35-15-10-30-69(78)72-51-61(39-43-81(72)91)89-74-31-11-6-26-65(74)66-27-7-12-32-75(66)89)90-77-34-14-9-29-68(77)71-49-56(38-42-80(71)90)55-37-41-79-70(48-55)67-28-8-13-33-76(67)88(79)60-23-2-1-3-24-60;1-84-73-41-35-48-19-3-5-21-55(48)75(73)77-78-64-38-34-47-18-2-4-20-54(47)74(64)76(79-77)49-42-52(82-69-32-16-10-26-60(69)62-45-50(36-39-71(62)82)80-65-28-12-6-22-56(65)57-23-7-13-29-66(57)80)44-53(43-49)83-70-33-17-11-27-61(70)63-46-51(37-40-72(63)83)81-67-30-14-8-24-58(67)59-25-9-15-31-68(59)81;1-44-30-34-61(74(75,76)77)60(38-44)73-78-62-35-31-45-16-2-3-17-51(45)71(62)72(79-73)46-39-49(82-67-28-14-8-22-56(67)58-42-47(32-36-69(58)82)80-63-24-10-4-18-52(63)53-19-5-11-25-64(53)80)41-50(40-46)83-68-29-15-9-23-57(68)59-43-48(33-37-70(59)83)81-65-26-12-6-20-54(65)55-21-7-13-27-66(55)81/h1-51H;2-46H,1H3;2-43H,1H3
InChIKeyUBUUKBHRKAHLPI-UHFFFAOYSA-N
XLogP61.48
TPSA145.73 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003311.85
LogP ≤ 561.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline?
The IUPAC name of 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline (CID 161048465) is 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline.
What is the SMILES notation for 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline?
The canonical SMILES for 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline is COc1ccc2ccccc2c1-c1nc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2c(ccc3ccccc32)n1.Cc1ccc(C(F)(F)F)c(-c2nc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c3c(ccc4ccccc43)n2)c1.Fc1cccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)c4c(ccc5ccccc54)n3)c2)c1.
What is the InChIKey of 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline?
The InChIKey is UBUUKBHRKAHLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H51FN6.C77H48N6O.C74H45F3N6/c85-59-22-17-20-54(45-59)53-19-16-21-57(44-53)84-86-73-40-36-52-18-4-5-25-64(52)82(73)83(87-84)58-46-62(50-63(47-58)91-78-35-15-10-30-69(78)72-51-61(39-43-81(72)91)89-74-31-11-6-26-65(74)66-27-7-12-32-75(66)89)90-77-34-14-9-29-68(77)71-49-56(38-42-80(71)90)55-37-41-79-70(48-55)67-28-8-13-33-76(67)88(79)60-23-2-1-3-24-60;1-84-73-41-35-48-19-3-5-21-55(48)75(73)77-78-64-38-34-47-18-2-4-20-54(47)74(64)76(79-77)49-42-52(82-69-32-16-10-26-60(69)62-45-50(36-39-71(62)82)80-65-28-12-6-22-56(65)57-23-7-13-29-66(57)80)44-53(43-49)83-70-33-17-11-27-61(70)63-46-51(37-40-72(63)83)81-67-30-14-8-24-58(67)59-25-9-15-31-68(59)81;1-44-30-34-61(74(75,76)77)60(38-44)73-78-62-35-31-45-16-2-3-17-51(45)71(62)72(79-73)46-39-49(82-67-28-14-8-22-56(67)58-42-47(32-36-69(58)82)80-63-24-10-4-18-52(63)53-19-5-11-25-64(53)80)41-50(40-46)83-68-29-15-9-23-57(68)59-43-48(33-37-70(59)83)81-65-26-12-6-20-54(65)55-21-7-13-27-66(55)81/h1-51H;2-46H,1H3;2-43H,1H3.
What are the key properties of 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline?
1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline has a molecular weight of 3311.85 g/mol, XLogP of 61.48, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline;1-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[3-(3-fluorophenyl)phenyl]benzo[f]quinazoline is sourced from PubChem (CID 161048465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).