3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline

C260H160F3N19O — CID 159645830

IUPAC3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline
SMILESCOc1ccc2ccccc2c1-c1nc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c2)c2c(ccc3ccccc32)n1.Cc1ccc(C(F)(F)F)c(-c2nc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)c3c(ccc4ccccc43)n2)c1.[C-]#[N+]c1cccc(-c2nc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)nc3ccc4ccccc4c23)c1
InChIInChI=1S/C89H56N6O.C86H53F3N6.C85H51N7/c1-96-81-51-49-56-25-9-11-31-63(56)87(81)89-90-72-50-48-55-24-8-10-30-62(55)86(72)88(91-89)57-52-60(94-75-42-18-14-34-70(75)84-66(38-22-46-79(84)94)64-36-20-44-77-82(64)68-32-12-16-40-73(68)92(77)58-26-4-2-5-27-58)54-61(53-57)95-76-43-19-15-35-71(76)85-67(39-23-47-80(85)95)65-37-21-45-78-83(65)69-33-13-17-41-74(69)93(78)59-28-6-3-7-29-59;1-52-44-46-69(86(87,88)89)68(48-52)85-90-70-47-45-53-22-8-9-27-59(53)83(70)84(91-85)54-49-57(94-73-38-16-12-30-66(73)81-62(34-20-42-77(81)94)60-32-18-40-75-79(60)64-28-10-14-36-71(64)92(75)55-23-4-2-5-24-55)51-58(50-54)95-74-39-17-13-31-67(74)82-63(35-21-43-78(82)95)61-33-19-41-76-80(61)65-29-11-15-37-72(65)93(76)56-25-6-3-7-26-56;1-86-56-25-18-24-54(49-56)84-83-61-30-9-8-23-53(61)47-48-70(83)87-85(88-84)55-50-59(91-73-41-16-12-33-68(73)81-64(37-21-45-77(81)91)62-35-19-43-75-79(62)66-31-10-14-39-71(66)89(75)57-26-4-2-5-27-57)52-60(51-55)92-74-42-17-13-34-69(74)82-65(38-22-46-78(82)92)63-36-20-44-76-80(63)67-32-11-15-40-72(67)90(76)58-28-6-3-7-29-58/h2-54H,1H3;2-51H,1H3;2-52H
InChIKeyMQYFLTZXUAPENW-UHFFFAOYSA-N
MW3623.27 g/mol
LogP68.56
Rot. Bonds25

About 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline

3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline (PubChem CID 159645830) has the molecular formula C260H160F3N19O and a molecular weight of 3623.27 g/mol. Its IUPAC name is 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline.

Molecular Properties

Compound Name3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline
PubChem CID159645830
Molecular FormulaC260H160F3N19O
Molecular Weight3623.27 g/mol
Exact Mass3620.30
IUPAC Name3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline
SMILESCOc1ccc2ccccc2c1-c1nc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c2)c2c(ccc3ccccc32)n1.Cc1ccc(C(F)(F)F)c(-c2nc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)c3c(ccc4ccccc43)n2)c1.[C-]#[N+]c1cccc(-c2nc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)nc3ccc4ccccc4c23)c1
InChIInChI=1S/C89H56N6O.C86H53F3N6.C85H51N7/c1-96-81-51-49-56-25-9-11-31-63(56)87(81)89-90-72-50-48-55-24-8-10-30-62(55)86(72)88(91-89)57-52-60(94-75-42-18-14-34-70(75)84-66(38-22-46-79(84)94)64-36-20-44-77-82(64)68-32-12-16-40-73(68)92(77)58-26-4-2-5-27-58)54-61(53-57)95-76-43-19-15-35-71(76)85-67(39-23-47-80(85)95)65-37-21-45-78-83(65)69-33-13-17-41-74(69)93(78)59-28-6-3-7-29-59;1-52-44-46-69(86(87,88)89)68(48-52)85-90-70-47-45-53-22-8-9-27-59(53)83(70)84(91-85)54-49-57(94-73-38-16-12-30-66(73)81-62(34-20-42-77(81)94)60-32-18-40-75-79(60)64-28-10-14-36-71(64)92(75)55-23-4-2-5-24-55)51-58(50-54)95-74-39-17-13-31-67(74)82-63(35-21-43-78(82)95)61-33-19-41-76-80(61)65-29-11-15-37-72(65)93(76)56-25-6-3-7-26-56;1-86-56-25-18-24-54(49-56)84-83-61-30-9-8-23-53(61)47-48-70(83)87-85(88-84)55-50-59(91-73-41-16-12-33-68(73)81-64(37-21-45-77(81)91)62-35-19-43-75-79(62)66-31-10-14-39-71(66)89(75)57-26-4-2-5-27-57)52-60(51-55)92-74-42-17-13-34-69(74)82-65(38-22-46-78(82)92)63-36-20-44-76-80(63)67-32-11-15-40-72(67)90(76)58-28-6-3-7-29-58/h2-54H,1H3;2-51H,1H3;2-52H
InChIKeyMQYFLTZXUAPENW-UHFFFAOYSA-N
XLogP68.56
TPSA150.09 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003623.27
LogP ≤ 568.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline?
The IUPAC name of 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline (CID 159645830) is 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline.
What is the SMILES notation for 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline?
The canonical SMILES for 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline is COc1ccc2ccccc2c1-c1nc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c2)c2c(ccc3ccccc32)n1.Cc1ccc(C(F)(F)F)c(-c2nc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)c3c(ccc4ccccc43)n2)c1.[C-]#[N+]c1cccc(-c2nc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)nc3ccc4ccccc4c23)c1.
What is the InChIKey of 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline?
The InChIKey is MQYFLTZXUAPENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H56N6O.C86H53F3N6.C85H51N7/c1-96-81-51-49-56-25-9-11-31-63(56)87(81)89-90-72-50-48-55-24-8-10-30-62(55)86(72)88(91-89)57-52-60(94-75-42-18-14-34-70(75)84-66(38-22-46-79(84)94)64-36-20-44-77-82(64)68-32-12-16-40-73(68)92(77)58-26-4-2-5-27-58)54-61(53-57)95-76-43-19-15-35-71(76)85-67(39-23-47-80(85)95)65-37-21-45-78-83(65)69-33-13-17-41-74(69)93(78)59-28-6-3-7-29-59;1-52-44-46-69(86(87,88)89)68(48-52)85-90-70-47-45-53-22-8-9-27-59(53)83(70)84(91-85)54-49-57(94-73-38-16-12-30-66(73)81-62(34-20-42-77(81)94)60-32-18-40-75-79(60)64-28-10-14-36-71(64)92(75)55-23-4-2-5-24-55)51-58(50-54)95-74-39-17-13-31-67(74)82-63(35-21-43-78(82)95)61-33-19-41-76-80(61)65-29-11-15-37-72(65)93(76)56-25-6-3-7-26-56;1-86-56-25-18-24-54(49-56)84-83-61-30-9-8-23-53(61)47-48-70(83)87-85(88-84)55-50-59(91-73-41-16-12-33-68(73)81-64(37-21-45-77(81)91)62-35-19-43-75-79(62)66-31-10-14-39-71(66)89(75)57-26-4-2-5-27-57)52-60(51-55)92-74-42-17-13-34-69(74)82-65(38-22-46-78(82)92)63-36-20-44-76-80(63)67-32-11-15-40-72(67)90(76)58-28-6-3-7-29-58/h2-54H,1H3;2-51H,1H3;2-52H.
What are the key properties of 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline?
3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline has a molecular weight of 3623.27 g/mol, XLogP of 68.56, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-1-(3-isocyanophenyl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-(2-methoxynaphthalen-1-yl)benzo[f]quinazoline;1-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-3-[5-methyl-2-(trifluoromethyl)phenyl]benzo[f]quinazoline is sourced from PubChem (CID 159645830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).