3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole

C78H48N10 — CID 118259399

IUPAC3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)nc5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)nc5)ccc43)n2)cc1
InChIInChI=1S/C78H48N10/c1-2-16-49(17-3-1)68-46-77(87-71-26-10-6-20-58(71)62-44-52(30-38-75(62)87)50-28-36-73-60(42-50)56-18-4-8-24-69(56)85(73)54-32-34-66(81-47-54)64-22-12-14-40-79-64)84-78(83-68)88-72-27-11-7-21-59(72)63-45-53(31-39-76(63)88)51-29-37-74-61(43-51)57-19-5-9-25-70(57)86(74)55-33-35-67(82-48-55)65-23-13-15-41-80-65/h1-48H
InChIKeyKLJWEGPVKVSMRN-UHFFFAOYSA-N
MW1125.31 g/mol
LogP18.78
Rot. Bonds9

About 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole

3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole (PubChem CID 118259399) has the molecular formula C78H48N10 and a molecular weight of 1125.31 g/mol. Its IUPAC name is 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole
PubChem CID118259399
Molecular FormulaC78H48N10
Molecular Weight1125.31 g/mol
Exact Mass1124.41
IUPAC Name3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)nc5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)nc5)ccc43)n2)cc1
InChIInChI=1S/C78H48N10/c1-2-16-49(17-3-1)68-46-77(87-71-26-10-6-20-58(71)62-44-52(30-38-75(62)87)50-28-36-73-60(42-50)56-18-4-8-24-69(56)85(73)54-32-34-66(81-47-54)64-22-12-14-40-79-64)84-78(83-68)88-72-27-11-7-21-59(72)63-45-53(31-39-76(63)88)51-29-37-74-61(43-51)57-19-5-9-25-70(57)86(74)55-33-35-67(82-48-55)65-23-13-15-41-80-65/h1-48H
InChIKeyKLJWEGPVKVSMRN-UHFFFAOYSA-N
XLogP18.78
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.31
LogP ≤ 518.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole?
The IUPAC name of 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole (CID 118259399) is 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole.
What is the SMILES notation for 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole?
The canonical SMILES for 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)nc5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)nc5)ccc43)n2)cc1.
What is the InChIKey of 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole?
The InChIKey is KLJWEGPVKVSMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N10/c1-2-16-49(17-3-1)68-46-77(87-71-26-10-6-20-58(71)62-44-52(30-38-75(62)87)50-28-36-73-60(42-50)56-18-4-8-24-69(56)85(73)54-32-34-66(81-47-54)64-22-12-14-40-79-64)84-78(83-68)88-72-27-11-7-21-59(72)63-45-53(31-39-76(63)88)51-29-37-74-61(43-51)57-19-5-9-25-70(57)86(74)55-33-35-67(82-48-55)65-23-13-15-41-80-65/h1-48H.
What are the key properties of 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole?
3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole has a molecular weight of 1125.31 g/mol, XLogP of 18.78, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-phenyl-6-[3-[9-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-2-yl]carbazol-3-yl]-9-(6-pyridin-2-yl-3-pyridinyl)carbazole is sourced from PubChem (CID 118259399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).