10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine

C63H51N9 — CID 135131187

IUPAC10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2c(-c3ncccn3)c(N3c4ccccc4C(C)(C)c4ccccc43)c(-c3ncccn3)c(N3c4ccccc4C(C)(C)c4ccccc43)c2-c2ncccn2)c2ccccc21
InChIInChI=1S/C63H51N9/c1-61(2)40-22-7-13-28-46(40)70(47-29-14-8-23-41(47)61)55-52(58-64-34-19-35-65-58)56(71-48-30-15-9-24-42(48)62(3,4)43-25-10-16-31-49(43)71)54(60-68-38-21-39-69-60)57(53(55)59-66-36-20-37-67-59)72-50-32-17-11-26-44(50)63(5,6)45-27-12-18-33-51(45)72/h7-39H,1-6H3
InChIKeyTXCQIBAWRWXUOT-UHFFFAOYSA-N
MW934.16 g/mol
LogP15.38
Rot. Bonds6

About 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine

10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine (PubChem CID 135131187) has the molecular formula C63H51N9 and a molecular weight of 934.16 g/mol. Its IUPAC name is 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine
PubChem CID135131187
Molecular FormulaC63H51N9
Molecular Weight934.16 g/mol
Exact Mass933.43
IUPAC Name10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2c(-c3ncccn3)c(N3c4ccccc4C(C)(C)c4ccccc43)c(-c3ncccn3)c(N3c4ccccc4C(C)(C)c4ccccc43)c2-c2ncccn2)c2ccccc21
InChIInChI=1S/C63H51N9/c1-61(2)40-22-7-13-28-46(40)70(47-29-14-8-23-41(47)61)55-52(58-64-34-19-35-65-58)56(71-48-30-15-9-24-42(48)62(3,4)43-25-10-16-31-49(43)71)54(60-68-38-21-39-69-60)57(53(55)59-66-36-20-37-67-59)72-50-32-17-11-26-44(50)63(5,6)45-27-12-18-33-51(45)72/h7-39H,1-6H3
InChIKeyTXCQIBAWRWXUOT-UHFFFAOYSA-N
XLogP15.38
TPSA87.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.16
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine (CID 135131187) is 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2c(-c3ncccn3)c(N3c4ccccc4C(C)(C)c4ccccc43)c(-c3ncccn3)c(N3c4ccccc4C(C)(C)c4ccccc43)c2-c2ncccn2)c2ccccc21.
What is the InChIKey of 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine?
The InChIKey is TXCQIBAWRWXUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N9/c1-61(2)40-22-7-13-28-46(40)70(47-29-14-8-23-41(47)61)55-52(58-64-34-19-35-65-58)56(71-48-30-15-9-24-42(48)62(3,4)43-25-10-16-31-49(43)71)54(60-68-38-21-39-69-60)57(53(55)59-66-36-20-37-67-59)72-50-32-17-11-26-44(50)63(5,6)45-27-12-18-33-51(45)72/h7-39H,1-6H3.
What are the key properties of 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine?
10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 934.16 g/mol, XLogP of 15.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 135131187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).