4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

C179H113F3N10O — CID 159775977

IUPAC4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESCOc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)c4ccc5ccccc5c4n3)c2)cc1.Cc1cc(-c2cc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)cc3c2ccc2ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C91H58N6O.C88H55F3N4/c1-98-66-50-47-57(48-51-66)59-24-18-25-60(53-59)91-92-89(76-52-49-58-23-8-9-30-67(58)90(76)93-91)61-54-64(96-79-41-16-12-33-74(79)87-70(37-21-45-83(87)96)68-35-19-43-81-85(68)72-31-10-14-39-77(72)94(81)62-26-4-2-5-27-62)56-65(55-61)97-80-42-17-13-34-75(80)88-71(38-22-46-84(88)97)69-36-20-44-82-86(69)73-32-11-15-40-78(73)95(82)63-28-6-3-7-29-63;1-54-46-58(48-59(47-54)88(89,90)91)74-51-57(52-75-64-27-9-8-22-55(64)44-45-65(74)75)56-49-62(94-78-38-16-12-30-72(78)86-68(34-20-42-82(86)94)66-32-18-40-80-84(66)70-28-10-14-36-76(70)92(80)60-23-4-2-5-24-60)53-63(50-56)95-79-39-17-13-31-73(79)87-69(35-21-43-83(87)95)67-33-19-41-81-85(67)71-29-11-15-37-77(71)93(81)61-25-6-3-7-26-61/h2-56H,1H3;2-53H,1H3
InChIKeyNGSYJWUBOPQFLN-UHFFFAOYSA-N
MW2476.94 g/mol
LogP47.89
Rot. Bonds18

About 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 159775977) has the molecular formula C179H113F3N10O and a molecular weight of 2476.94 g/mol. Its IUPAC name is 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
PubChem CID159775977
Molecular FormulaC179H113F3N10O
Molecular Weight2476.94 g/mol
Exact Mass2474.91
IUPAC Name4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESCOc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)c4ccc5ccccc5c4n3)c2)cc1.Cc1cc(-c2cc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)cc3c2ccc2ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C91H58N6O.C88H55F3N4/c1-98-66-50-47-57(48-51-66)59-24-18-25-60(53-59)91-92-89(76-52-49-58-23-8-9-30-67(58)90(76)93-91)61-54-64(96-79-41-16-12-33-74(79)87-70(37-21-45-83(87)96)68-35-19-43-81-85(68)72-31-10-14-39-77(72)94(81)62-26-4-2-5-27-62)56-65(55-61)97-80-42-17-13-34-75(80)88-71(38-22-46-84(88)97)69-36-20-44-82-86(69)73-32-11-15-40-78(73)95(82)63-28-6-3-7-29-63;1-54-46-58(48-59(47-54)88(89,90)91)74-51-57(52-75-64-27-9-8-22-55(64)44-45-65(74)75)56-49-62(94-78-38-16-12-30-72(78)86-68(34-20-42-82(86)94)66-32-18-40-80-84(66)70-28-10-14-36-76(70)92(80)60-23-4-2-5-24-60)53-63(50-56)95-79-39-17-13-31-73(79)87-69(35-21-43-83(87)95)67-33-19-41-81-85(67)71-29-11-15-37-77(71)93(81)61-25-6-3-7-26-61/h2-56H,1H3;2-53H,1H3
InChIKeyNGSYJWUBOPQFLN-UHFFFAOYSA-N
XLogP47.89
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002476.94
LogP ≤ 547.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 159775977) is 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is COc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)cc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)c4ccc5ccccc5c4n3)c2)cc1.Cc1cc(-c2cc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)cc3c2ccc2ccccc23)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is NGSYJWUBOPQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H58N6O.C88H55F3N4/c1-98-66-50-47-57(48-51-66)59-24-18-25-60(53-59)91-92-89(76-52-49-58-23-8-9-30-67(58)90(76)93-91)61-54-64(96-79-41-16-12-33-74(79)87-70(37-21-45-83(87)96)68-35-19-43-81-85(68)72-31-10-14-39-77(72)94(81)62-26-4-2-5-27-62)56-65(55-61)97-80-42-17-13-34-75(80)88-71(38-22-46-84(88)97)69-36-20-44-82-86(69)73-32-11-15-40-78(73)95(82)63-28-6-3-7-29-63;1-54-46-58(48-59(47-54)88(89,90)91)74-51-57(52-75-64-27-9-8-22-55(64)44-45-65(74)75)56-49-62(94-78-38-16-12-30-72(78)86-68(34-20-42-82(86)94)66-32-18-40-80-84(66)70-28-10-14-36-76(70)92(80)60-23-4-2-5-24-60)53-63(50-56)95-79-39-17-13-31-73(79)87-69(35-21-43-83(87)95)67-33-19-41-81-85(67)71-29-11-15-37-77(71)93(81)61-25-6-3-7-26-61/h2-56H,1H3;2-53H,1H3.
What are the key properties of 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 2476.94 g/mol, XLogP of 47.89, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;4-[9-[3-[1-[3-methyl-5-(trifluoromethyl)phenyl]phenanthren-3-yl]-5-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 159775977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).