9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole

C61H52N10 — CID 88935429

IUPAC9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole
SMILESc1ccc2c(c1)CCCN2c1cc(N2CCCc3ccccc32)nc(-c2cc(-c3nc(N4CCCc5ccccc54)cc(N4CCCc5ccccc54)n3)nc(-n3c4ccccc4c4ccccc43)c2)n1
InChIInChI=1S/C61H52N10/c1-7-27-49-41(17-1)21-13-33-67(49)55-39-56(68-34-14-22-42-18-2-8-28-50(42)68)64-60(63-55)45-37-48(62-59(38-45)71-53-31-11-5-25-46(53)47-26-6-12-32-54(47)71)61-65-57(69-35-15-23-43-19-3-9-29-51(43)69)40-58(66-61)70-36-16-24-44-20-4-10-30-52(44)70/h1-12,17-20,25-32,37-40H,13-16,21-24,33-36H2
InChIKeyYCAMAYRQASSPEG-UHFFFAOYSA-N
MW925.16 g/mol
LogP13.43
Rot. Bonds7

About 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole

9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole (PubChem CID 88935429) has the molecular formula C61H52N10 and a molecular weight of 925.16 g/mol. Its IUPAC name is 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole
PubChem CID88935429
Molecular FormulaC61H52N10
Molecular Weight925.16 g/mol
Exact Mass924.44
IUPAC Name9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole
SMILESc1ccc2c(c1)CCCN2c1cc(N2CCCc3ccccc32)nc(-c2cc(-c3nc(N4CCCc5ccccc54)cc(N4CCCc5ccccc54)n3)nc(-n3c4ccccc4c4ccccc43)c2)n1
InChIInChI=1S/C61H52N10/c1-7-27-49-41(17-1)21-13-33-67(49)55-39-56(68-34-14-22-42-18-2-8-28-50(42)68)64-60(63-55)45-37-48(62-59(38-45)71-53-31-11-5-25-46(53)47-26-6-12-32-54(47)71)61-65-57(69-35-15-23-43-19-3-9-29-51(43)69)40-58(66-61)70-36-16-24-44-20-4-10-30-52(44)70/h1-12,17-20,25-32,37-40H,13-16,21-24,33-36H2
InChIKeyYCAMAYRQASSPEG-UHFFFAOYSA-N
XLogP13.43
TPSA82.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.16
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

9-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]phenyl]carbazole
CID 90215596
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine
CID 112912308
12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 162363133
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 146379780
3-[4-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 159539371
2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877330
1-[6-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-2,3-dihydroindole
CID 112881040
[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]boronic acid
CID 140873197
9-[6-[6-[6-[6-carbazol-9-yl-4-(3-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(3-phenylphenyl)-2-pyridinyl]carbazole
CID 165167516
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
3-[9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazol-3-yl]-9-naphthalen-1-yl-6-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 159910274

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole?
The IUPAC name of 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole (CID 88935429) is 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole is c1ccc2c(c1)CCCN2c1cc(N2CCCc3ccccc32)nc(-c2cc(-c3nc(N4CCCc5ccccc54)cc(N4CCCc5ccccc54)n3)nc(-n3c4ccccc4c4ccccc43)c2)n1.
What is the InChIKey of 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole?
The InChIKey is YCAMAYRQASSPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52N10/c1-7-27-49-41(17-1)21-13-33-67(49)55-39-56(68-34-14-22-42-18-2-8-28-50(42)68)64-60(63-55)45-37-48(62-59(38-45)71-53-31-11-5-25-46(53)47-26-6-12-32-54(47)71)61-65-57(69-35-15-23-43-19-3-9-29-51(43)69)40-58(66-61)70-36-16-24-44-20-4-10-30-52(44)70/h1-12,17-20,25-32,37-40H,13-16,21-24,33-36H2.
What are the key properties of 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole?
9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole has a molecular weight of 925.16 g/mol, XLogP of 13.43, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis[4,6-bis(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 88935429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).