10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine

C74H52N2 — CID 59470076

IUPAC10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4cccc(-c5cccc(-c6ccc(N7c8ccccc8C(c8ccccc8)(c8ccccc8)c8ccccc87)cc6)c5)c4)cc3)c3ccccc32)cc1
InChIInChI=1S/C74H52N2/c1-5-27-59(28-6-1)73(60-29-7-2-8-30-60)65-35-13-17-39-69(65)75(70-40-18-14-36-66(70)73)63-47-43-53(44-48-63)55-23-21-25-57(51-55)58-26-22-24-56(52-58)54-45-49-64(50-46-54)76-71-41-19-15-37-67(71)74(61-31-9-3-10-32-61,62-33-11-4-12-34-62)68-38-16-20-42-72(68)76/h1-52H
InChIKeyOJJLQYZJWLXRKB-UHFFFAOYSA-N
MW969.24 g/mol
LogP19.02
Rot. Bonds9

About 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine

10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine (PubChem CID 59470076) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine.

Molecular Properties

Compound Name10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
PubChem CID59470076
Molecular FormulaC74H52N2
Molecular Weight969.24 g/mol
Exact Mass968.41
IUPAC Name10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4cccc(-c5cccc(-c6ccc(N7c8ccccc8C(c8ccccc8)(c8ccccc8)c8ccccc87)cc6)c5)c4)cc3)c3ccccc32)cc1
InChIInChI=1S/C74H52N2/c1-5-27-59(28-6-1)73(60-29-7-2-8-30-60)65-35-13-17-39-69(65)75(70-40-18-14-36-66(70)73)63-47-43-53(44-48-63)55-23-21-25-57(51-55)58-26-22-24-56(52-58)54-45-49-64(50-46-54)76-71-41-19-15-37-67(71)74(61-31-9-3-10-32-61,62-33-11-4-12-34-62)68-38-16-20-42-72(68)76/h1-52H
InChIKeyOJJLQYZJWLXRKB-UHFFFAOYSA-N
XLogP19.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms76
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.24
LogP ≤ 519.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine?
The IUPAC name of 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine (CID 59470076) is 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine.
What is the SMILES notation for 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine?
The canonical SMILES for 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine is c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4cccc(-c5cccc(-c6ccc(N7c8ccccc8C(c8ccccc8)(c8ccccc8)c8ccccc87)cc6)c5)c4)cc3)c3ccccc32)cc1.
What is the InChIKey of 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine?
The InChIKey is OJJLQYZJWLXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-5-27-59(28-6-1)73(60-29-7-2-8-30-60)65-35-13-17-39-69(65)75(70-40-18-14-36-66(70)73)63-47-43-53(44-48-63)55-23-21-25-57(51-55)58-26-22-24-56(52-58)54-45-49-64(50-46-54)76-71-41-19-15-37-67(71)74(61-31-9-3-10-32-61,62-33-11-4-12-34-62)68-38-16-20-42-72(68)76/h1-52H.
What are the key properties of 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine?
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine has a molecular weight of 969.24 g/mol, XLogP of 19.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine is sourced from PubChem (CID 59470076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).