2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole

C73H54N4 — CID 165149263

IUPAC2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ncc3-c3ccccc3-c3cc(CCc4ccc(-c5ccccc5)nc4)cc(CCc4ccc(-c5ccccc5)nc4)c3)cc2)cc1
InChIInChI=1S/C73H54N4/c1-5-17-55(18-6-1)56-35-37-57(38-36-56)67-47-71(60-39-40-66-65-27-15-16-28-72(65)77(73(66)46-60)62-23-11-4-12-24-62)76-50-68(67)64-26-14-13-25-63(64)61-44-53(31-29-51-33-41-69(74-48-51)58-19-7-2-8-20-58)43-54(45-61)32-30-52-34-42-70(75-49-52)59-21-9-3-10-22-59/h1-28,33-50H,29-32H2
InChIKeyBODKVDKHXWZHHK-UHFFFAOYSA-N
MW987.26 g/mol
LogP18.21
Rot. Bonds14

About 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole

2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole (PubChem CID 165149263) has the molecular formula C73H54N4 and a molecular weight of 987.26 g/mol. Its IUPAC name is 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
PubChem CID165149263
Molecular FormulaC73H54N4
Molecular Weight987.26 g/mol
Exact Mass986.43
IUPAC Name2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ncc3-c3ccccc3-c3cc(CCc4ccc(-c5ccccc5)nc4)cc(CCc4ccc(-c5ccccc5)nc4)c3)cc2)cc1
InChIInChI=1S/C73H54N4/c1-5-17-55(18-6-1)56-35-37-57(38-36-56)67-47-71(60-39-40-66-65-27-15-16-28-72(65)77(73(66)46-60)62-23-11-4-12-24-62)76-50-68(67)64-26-14-13-25-63(64)61-44-53(31-29-51-33-41-69(74-48-51)58-19-7-2-8-20-58)43-54(45-61)32-30-52-34-42-70(75-49-52)59-21-9-3-10-22-59/h1-28,33-50H,29-32H2
InChIKeyBODKVDKHXWZHHK-UHFFFAOYSA-N
XLogP18.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.26
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 165148910
5-[2-[6-phenyl-4-(9-phenylcarbazol-3-yl)-3-pyridinyl]phenyl]benzene-1,3-diol
CID 154679914
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 177269899
[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-pyridinyl]-diphenylborane
CID 165148311
4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-phenyl-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 164805132
3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]-4-fluorophenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-phenylpyrido[4,3-b]indole;iridium(3+)
CID 165148907
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 142315018
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole (CID 165149263) is 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ncc3-c3ccccc3-c3cc(CCc4ccc(-c5ccccc5)nc4)cc(CCc4ccc(-c5ccccc5)nc4)c3)cc2)cc1.
What is the InChIKey of 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole?
The InChIKey is BODKVDKHXWZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N4/c1-5-17-55(18-6-1)56-35-37-57(38-36-56)67-47-71(60-39-40-66-65-27-15-16-28-72(65)77(73(66)46-60)62-23-11-4-12-24-62)76-50-68(67)64-26-14-13-25-63(64)61-44-53(31-29-51-33-41-69(74-48-51)58-19-7-2-8-20-58)43-54(45-61)32-30-52-34-42-70(75-49-52)59-21-9-3-10-22-59/h1-28,33-50H,29-32H2.
What are the key properties of 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole?
2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole has a molecular weight of 987.26 g/mol, XLogP of 18.21, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 165149263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).