9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole

C209H137N9 — CID 160637809

IUPAC9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)cccc21.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)nc(-c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)nc(-c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1
InChIInChI=1S/2C73H47N3.C63H43N3/c1-5-22-48(23-6-1)50-40-41-61-60-34-18-20-39-69(60)76(70(61)46-50)56-43-52(64-45-51-26-13-14-31-57(51)58-32-15-16-33-59(58)64)42-53(44-56)67-47-68(75-72(74-67)49-24-7-2-8-25-49)63-36-21-38-66-71(63)62-35-17-19-37-65(62)73(66,54-27-9-3-10-28-54)55-29-11-4-12-30-55;1-5-21-48(22-6-1)50-37-40-64-63-34-18-20-36-70(63)76(71(64)46-50)57-42-53(65-44-51-25-13-14-30-58(51)59-31-15-16-32-60(59)65)41-54(43-57)69-47-68(74-72(75-69)49-23-7-2-8-24-49)52-38-39-62-61-33-17-19-35-66(61)73(67(62)45-52,55-26-9-3-10-27-55)56-28-11-4-12-29-56;1-63(2)55-29-15-13-27-52(55)61-53(28-17-30-56(61)63)58-39-57(64-62(65-58)41-20-7-4-8-21-41)45-34-44(54-37-43-22-9-10-23-47(43)48-24-11-12-25-49(48)54)35-46(36-45)66-59-31-16-14-26-50(59)51-33-32-42(38-60(51)66)40-18-5-3-6-19-40/h2*1-47H;3-39H,1-2H3
InChIKeyRITQFLUKHDTYHV-UHFFFAOYSA-N
MW2774.46 g/mol
LogP53.68
Rot. Bonds22

About 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole

9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole (PubChem CID 160637809) has the molecular formula C209H137N9 and a molecular weight of 2774.46 g/mol. Its IUPAC name is 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
PubChem CID160637809
Molecular FormulaC209H137N9
Molecular Weight2774.46 g/mol
Exact Mass2772.10
IUPAC Name9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)cccc21.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)nc(-c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)nc(-c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1
InChIInChI=1S/2C73H47N3.C63H43N3/c1-5-22-48(23-6-1)50-40-41-61-60-34-18-20-39-69(60)76(70(61)46-50)56-43-52(64-45-51-26-13-14-31-57(51)58-32-15-16-33-59(58)64)42-53(44-56)67-47-68(75-72(74-67)49-24-7-2-8-25-49)63-36-21-38-66-71(63)62-35-17-19-37-65(62)73(66,54-27-9-3-10-28-54)55-29-11-4-12-30-55;1-5-21-48(22-6-1)50-37-40-64-63-34-18-20-36-70(63)76(71(64)46-50)57-42-53(65-44-51-25-13-14-30-58(51)59-31-15-16-32-60(59)65)41-54(43-57)69-47-68(74-72(75-69)49-23-7-2-8-24-49)52-38-39-62-61-33-17-19-35-66(61)73(67(62)45-52,55-26-9-3-10-27-55)56-28-11-4-12-29-56;1-63(2)55-29-15-13-27-52(55)61-53(28-17-30-56(61)63)58-39-57(64-62(65-58)41-20-7-4-8-21-41)45-34-44(54-37-43-22-9-10-23-47(43)48-24-11-12-25-49(48)54)35-46(36-45)66-59-31-16-14-26-50(59)51-33-32-42(38-60(51)66)40-18-5-3-6-19-40/h2*1-47H;3-39H,1-2H3
InChIKeyRITQFLUKHDTYHV-UHFFFAOYSA-N
XLogP53.68
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms218
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002774.46
LogP ≤ 553.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole?
The IUPAC name of 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole (CID 160637809) is 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole is CC1(C)c2ccccc2-c2c(-c3cc(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)cccc21.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)nc(-c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)nc(-c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.
What is the InChIKey of 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole?
The InChIKey is RITQFLUKHDTYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C73H47N3.C63H43N3/c1-5-22-48(23-6-1)50-40-41-61-60-34-18-20-39-69(60)76(70(61)46-50)56-43-52(64-45-51-26-13-14-31-57(51)58-32-15-16-33-59(58)64)42-53(44-56)67-47-68(75-72(74-67)49-24-7-2-8-25-49)63-36-21-38-66-71(63)62-35-17-19-37-65(62)73(66,54-27-9-3-10-28-54)55-29-11-4-12-30-55;1-5-21-48(22-6-1)50-37-40-64-63-34-18-20-36-70(63)76(71(64)46-50)57-42-53(65-44-51-25-13-14-30-58(51)59-31-15-16-32-60(59)65)41-54(43-57)69-47-68(74-72(75-69)49-23-7-2-8-24-49)52-38-39-62-61-33-17-19-35-66(61)73(67(62)45-52,55-26-9-3-10-27-55)56-28-11-4-12-29-56;1-63(2)55-29-15-13-27-52(55)61-53(28-17-30-56(61)63)58-39-57(64-62(65-58)41-20-7-4-8-21-41)45-34-44(54-37-43-22-9-10-23-47(43)48-24-11-12-25-49(48)54)35-46(36-45)66-59-31-16-14-26-50(59)51-33-32-42(38-60(51)66)40-18-5-3-6-19-40/h2*1-47H;3-39H,1-2H3.
What are the key properties of 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole?
9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole has a molecular weight of 2774.46 g/mol, XLogP of 53.68, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole is sourced from PubChem (CID 160637809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).