10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine

C27H20N2 — CID 161377659

IUPAC10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine
SMILES[C-]#[N+]c1ccc(-c2ccc(N3c4ccccc4C(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C27H20N2/c1-19-24-7-3-5-9-26(24)29(27-10-6-4-8-25(19)27)23-17-13-21(14-18-23)20-11-15-22(28-2)16-12-20/h3-19H,1H3
InChIKeyYLEVKLIUPWJGQO-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.84
Rot. Bonds2

About 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine

10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine (PubChem CID 161377659) has the molecular formula C27H20N2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine.

Molecular Properties

Compound Name10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine
PubChem CID161377659
Molecular FormulaC27H20N2
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine
SMILES[C-]#[N+]c1ccc(-c2ccc(N3c4ccccc4C(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C27H20N2/c1-19-24-7-3-5-9-26(24)29(27-10-6-4-8-25(19)27)23-17-13-21(14-18-23)20-11-15-22(28-2)16-12-20/h3-19H,1H3
InChIKeyYLEVKLIUPWJGQO-UHFFFAOYSA-N
XLogP7.84
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

10-(4-isocyanophenyl)-9-methyl-9H-acridine
CID 159125165
9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine
CID 144909884
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
10-[4-(3,5-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 158640756
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,5,8,10,12,15,17-octaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 144559190
10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 140731455
10'-(4-isocyanophenyl)-8,8,22,22-tetramethylspiro[1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,9'-acridine]
CID 153311889
11-[4-[4-(5,6-dimethylbenzo[b][1]benzazepin-11-yl)phenyl]phenyl]-5,6-dimethylbenzo[b][1]benzazepine
CID 18740114
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;vanadium
CID 159673552
10-[3-[9-[3,5-bis(9-methyl-9H-acridin-10-yl)phenyl]fluoren-9-yl]-5-(9-methyl-9H-acridin-10-yl)phenyl]-9-methyl-9H-acridine
CID 58142126
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158328207
isocyanobenzene;molybdenum
CID 76711828

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine?
The IUPAC name of 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine (CID 161377659) is 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine.
What is the SMILES notation for 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine?
The canonical SMILES for 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine is [C-]#[N+]c1ccc(-c2ccc(N3c4ccccc4C(C)c4ccccc43)cc2)cc1.
What is the InChIKey of 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine?
The InChIKey is YLEVKLIUPWJGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2/c1-19-24-7-3-5-9-26(24)29(27-10-6-4-8-25(19)27)23-17-13-21(14-18-23)20-11-15-22(28-2)16-12-20/h3-19H,1H3.
What are the key properties of 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine?
10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine has a molecular weight of 372.47 g/mol, XLogP of 7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine is sourced from PubChem (CID 161377659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).