CID 172510821

C58H56N3 — CID 172510821

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C]1c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C58H56N3/c1-37(2)43-21-17-22-44(38(3)4)55(43)59-35-36-60(56-45(39(5)6)23-18-24-46(56)40(7)8)57(59)41-31-33-42(34-32-41)61-53-29-15-13-27-51(53)58(52-28-14-16-30-54(52)61)49-25-11-9-19-47(49)48-20-10-12-26-50(48)58/h9-40H,1-8H3
InChIKeyBNPZGFQXPFHFFR-UHFFFAOYSA-N
MW795.11 g/mol
LogP15.66
Rot. Bonds8

About CID 172510821

CID 172510821 (PubChem CID 172510821) has the molecular formula C58H56N3 and a molecular weight of 795.11 g/mol.

Molecular Properties

Compound NameCID 172510821
PubChem CID172510821
Molecular FormulaC58H56N3
Molecular Weight795.11 g/mol
Exact Mass794.45
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C]1c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C58H56N3/c1-37(2)43-21-17-22-44(38(3)4)55(43)59-35-36-60(56-45(39(5)6)23-18-24-46(56)40(7)8)57(59)41-31-33-42(34-32-41)61-53-29-15-13-27-51(53)58(52-28-14-16-30-54(52)61)49-25-11-9-19-47(49)48-20-10-12-26-50(48)58/h9-40H,1-8H3
InChIKeyBNPZGFQXPFHFFR-UHFFFAOYSA-N
XLogP15.66
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.11
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 130417550
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 135293730
CID 172510893
CID 172510893
10-[4-(3,5-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 158640756
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
CID 143268859
10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 146906159
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142

Frequently Asked Questions

What is the IUPAC name of CID 172510821?
The IUPAC name of CID 172510821 (CID 172510821) is not available.
What is the SMILES notation for CID 172510821?
The canonical SMILES for CID 172510821 is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C]1c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1.
What is the InChIKey of CID 172510821?
The InChIKey is BNPZGFQXPFHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H56N3/c1-37(2)43-21-17-22-44(38(3)4)55(43)59-35-36-60(56-45(39(5)6)23-18-24-46(56)40(7)8)57(59)41-31-33-42(34-32-41)61-53-29-15-13-27-51(53)58(52-28-14-16-30-54(52)61)49-25-11-9-19-47(49)48-20-10-12-26-50(48)58/h9-40H,1-8H3.
What are the key properties of CID 172510821?
CID 172510821 has a molecular weight of 795.11 g/mol, XLogP of 15.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172510821 is sourced from PubChem (CID 172510821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).