11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole

C36H22N2 — CID 160559545

IUPAC11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole
SMILES[C-]#[N+]c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Cc3ccccc3-5)cc3ccccc23)cc1
InChIInChI=1S/C36H22N2/c1-37-26-16-14-23(15-17-26)33-22-27(20-24-8-2-5-11-29(24)33)38-35-13-7-6-12-31(35)32-19-18-30-28-10-4-3-9-25(28)21-34(30)36(32)38/h2-20,22H,21H2
InChIKeySBIFQTUOMVJLFD-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.73
Rot. Bonds2

About 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole

11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole (PubChem CID 160559545) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole
PubChem CID160559545
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole
SMILES[C-]#[N+]c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Cc3ccccc3-5)cc3ccccc23)cc1
InChIInChI=1S/C36H22N2/c1-37-26-16-14-23(15-17-26)33-22-27(20-24-8-2-5-11-29(24)33)38-35-13-7-6-12-31(35)32-19-18-30-28-10-4-3-9-25(28)21-34(30)36(32)38/h2-20,22H,21H2
InChIKeySBIFQTUOMVJLFD-UHFFFAOYSA-N
XLogP9.73
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.73
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

11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-12H-indeno[2,1-a]carbazole
CID 158772071
3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
CID 167043378
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole
CID 121287012
1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole
CID 140760204
12-[3-[4-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167337151
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole
CID 161361766
9-(3-carbazol-9-yl-5-triphenylen-2-ylphenyl)carbazole;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 158410125
12-[3,5-bis(4-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole
CID 159686435
11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole
CID 130409428
5-[7-(9H-fluoren-3-yl)-9H-fluoren-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 170285170
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanocarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155628228
23-phenyl-12-(4-phenylnaphthalen-2-yl)-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 154947961

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole?
The IUPAC name of 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole (CID 160559545) is 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole.
What is the SMILES notation for 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole?
The canonical SMILES for 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole is [C-]#[N+]c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)Cc3ccccc3-5)cc3ccccc23)cc1.
What is the InChIKey of 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole?
The InChIKey is SBIFQTUOMVJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-37-26-16-14-23(15-17-26)33-22-27(20-24-8-2-5-11-29(24)33)38-35-13-7-6-12-31(35)32-19-18-30-28-10-4-3-9-25(28)21-34(30)36(32)38/h2-20,22H,21H2.
What are the key properties of 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole?
11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole has a molecular weight of 482.59 g/mol, XLogP of 9.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-isocyanophenyl)naphthalen-2-yl]-12H-indeno[2,1-a]carbazole is sourced from PubChem (CID 160559545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).