10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine

C40H29N3 — CID 140761319

IUPAC10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C40H29N3/c1-40(2)32-17-7-12-22-38(32)43(39-23-13-8-18-33(39)40)35-20-10-5-15-29(35)28-14-4-9-19-34(28)42-36-21-11-6-16-30(36)31-26-27(41-3)24-25-37(31)42/h4-26H,1-2H3
InChIKeyITFSEMXFRITQJT-UHFFFAOYSA-N
MW551.69 g/mol
LogP11.11
Rot. Bonds3

About 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine

10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine (PubChem CID 140761319) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine
PubChem CID140761319
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C40H29N3/c1-40(2)32-17-7-12-22-38(32)43(39-23-13-8-18-33(39)40)35-20-10-5-15-29(35)28-14-4-9-19-34(28)42-36-21-11-6-16-30(36)31-26-27(41-3)24-25-37(31)42/h4-26H,1-2H3
InChIKeyITFSEMXFRITQJT-UHFFFAOYSA-N
XLogP11.11
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole
CID 167403954
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-isocyanophenyl]-3-isocyanocarbazole
CID 153462820
5-[3-(3-carbazol-9-ylphenyl)phenyl]-2-isocyano-7,7-dimethylindeno[2,1-b]carbazole
CID 140822849
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-isocyanophenyl)carbazole
CID 140790446
9-[2-(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-isocyanocarbazole
CID 155761350
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
9-[4-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]-3-isocyanocarbazole
CID 155604073

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine (CID 140761319) is 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1N1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine?
The InChIKey is ITFSEMXFRITQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-40(2)32-17-7-12-22-38(32)43(39-23-13-8-18-33(39)40)35-20-10-5-15-29(35)28-14-4-9-19-34(28)42-36-21-11-6-16-30(36)31-26-27(41-3)24-25-37(31)42/h4-26H,1-2H3.
What are the key properties of 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine?
10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine has a molecular weight of 551.69 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 140761319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).