2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

C161H103N13 — CID 159640568

IUPAC2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc32)cc1
InChIInChI=1S/C58H38N4.C54H34N4.C49H31N5/c1-4-14-39(15-5-1)41-24-28-43(29-25-41)52-38-53(44-30-26-42(27-31-44)40-16-6-2-7-17-40)60-58(59-52)62-55-23-13-11-21-49(55)51-36-45(33-35-56(51)62)46-32-34-50-48-20-10-12-22-54(48)61(57(50)37-46)47-18-8-3-9-19-47;1-2-16-43(17-3-1)57-50-20-10-8-18-44(50)46-28-26-40(33-53(46)57)39-27-29-52-47(32-39)45-19-9-11-21-51(45)58(52)54-55-48(41-24-22-35-12-4-6-14-37(35)30-41)34-49(56-54)42-25-23-36-13-5-7-15-38(36)31-42;1-3-14-33(15-4-1)47-50-48(34-16-5-2-6-17-34)52-49(51-47)54-44-22-12-10-20-40(44)42-30-36(25-28-45(42)54)37-24-27-41-39-19-9-11-21-43(39)53(46(41)31-37)38-26-23-32-13-7-8-18-35(32)29-38/h1-38H;1-34H;1-31H
InChIKeyMQHMJQWRARWECT-UHFFFAOYSA-N
MW2219.69 g/mol
LogP41.20
Rot. Bonds17

About 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 159640568) has the molecular formula C161H103N13 and a molecular weight of 2219.69 g/mol. Its IUPAC name is 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
PubChem CID159640568
Molecular FormulaC161H103N13
Molecular Weight2219.69 g/mol
Exact Mass2217.85
IUPAC Name2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc32)cc1
InChIInChI=1S/C58H38N4.C54H34N4.C49H31N5/c1-4-14-39(15-5-1)41-24-28-43(29-25-41)52-38-53(44-30-26-42(27-31-44)40-16-6-2-7-17-40)60-58(59-52)62-55-23-13-11-21-49(55)51-36-45(33-35-56(51)62)46-32-34-50-48-20-10-12-22-54(48)61(57(50)37-46)47-18-8-3-9-19-47;1-2-16-43(17-3-1)57-50-20-10-8-18-44(50)46-28-26-40(33-53(46)57)39-27-29-52-47(32-39)45-19-9-11-21-51(45)58(52)54-55-48(41-24-22-35-12-4-6-14-37(35)30-41)34-49(56-54)42-25-23-36-13-5-7-15-38(36)31-42;1-3-14-33(15-4-1)47-50-48(34-16-5-2-6-17-34)52-49(51-47)54-44-22-12-10-20-40(44)42-30-36(25-28-45(42)54)37-24-27-41-39-19-9-11-21-43(39)53(46(41)31-37)38-26-23-32-13-7-8-18-35(32)29-38/h1-38H;1-34H;1-31H
InChIKeyMQHMJQWRARWECT-UHFFFAOYSA-N
XLogP41.20
TPSA119.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.69
LogP ≤ 541.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (CID 159640568) is 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)ccc43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)cc(-c5ccc6ccccc6c5)n4)cc32)cc1.
What is the InChIKey of 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The InChIKey is MQHMJQWRARWECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C54H34N4.C49H31N5/c1-4-14-39(15-5-1)41-24-28-43(29-25-41)52-38-53(44-30-26-42(27-31-44)40-16-6-2-7-17-40)60-58(59-52)62-55-23-13-11-21-49(55)51-36-45(33-35-56(51)62)46-32-34-50-48-20-10-12-22-54(48)61(57(50)37-46)47-18-8-3-9-19-47;1-2-16-43(17-3-1)57-50-20-10-8-18-44(50)46-28-26-40(33-53(46)57)39-27-29-52-47(32-39)45-19-9-11-21-51(45)58(52)54-55-48(41-24-22-35-12-4-6-14-37(35)30-41)34-49(56-54)42-25-23-36-13-5-7-15-38(36)31-42;1-3-14-33(15-4-1)47-50-48(34-16-5-2-6-17-34)52-49(51-47)54-44-22-12-10-20-40(44)42-30-36(25-28-45(42)54)37-24-27-41-39-19-9-11-21-43(39)53(46(41)31-37)38-26-23-32-13-7-8-18-35(32)29-38/h1-38H;1-34H;1-31H.
What are the key properties of 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 2219.69 g/mol, XLogP of 41.20, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 159640568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).