(10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide

C42H22N4 — CID 88884274

IUPAC(10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide
SMILESN#C/N=c1\c2cc(-c3ccc4ccccc4c3)ccc2c2cc3c(cc12)/c(=N/C#N)c1cc(-c2ccc4ccccc4c2)ccc13
InChIInChI=1S/C42H22N4/c43-23-45-41-37-19-31(29-11-9-25-5-1-3-7-27(25)17-29)13-15-33(37)35-21-36-34-16-14-32(30-12-10-26-6-2-4-8-28(26)18-30)20-38(34)42(46-24-44)40(36)22-39(35)41/h1-22H/b45-41+,46-42+
InChIKeyHNRYERCDYOXRHP-UWXPRHHASA-N
MW582.67 g/mol
LogP9.58
Rot. Bonds2

About (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide

(10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide (PubChem CID 88884274) has the molecular formula C42H22N4 and a molecular weight of 582.67 g/mol. Its IUPAC name is (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide.

Molecular Properties

Compound Name(10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide
PubChem CID88884274
Molecular FormulaC42H22N4
Molecular Weight582.67 g/mol
Exact Mass582.18
IUPAC Name(10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide
SMILESN#C/N=c1\c2cc(-c3ccc4ccccc4c3)ccc2c2cc3c(cc12)/c(=N/C#N)c1cc(-c2ccc4ccccc4c2)ccc13
InChIInChI=1S/C42H22N4/c43-23-45-41-37-19-31(29-11-9-25-5-1-3-7-27(25)17-29)13-15-33(37)35-21-36-34-16-14-32(30-12-10-26-6-2-4-8-28(26)18-30)20-38(34)42(46-24-44)40(36)22-39(35)41/h1-22H/b45-41+,46-42+
InChIKeyHNRYERCDYOXRHP-UWXPRHHASA-N
XLogP9.58
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.67
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 140710779
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
3-naphthalen-2-yl-9-pyren-2-ylchrysene
CID 140818399
[(6Z)-2,8-bis(3,4-difluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 123966900
[6-cyanoimino-8-methyl-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 162567490
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
[(6Z)-6-isocyanoimino-8-(4-phenylphenyl)-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 123831706
[(6Z)-6-isocyanoimino-2,8-bis[4-(trifluoromethoxy)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 123218612

Frequently Asked Questions

What is the IUPAC name of (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide?
The IUPAC name of (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide (CID 88884274) is (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide.
What is the SMILES notation for (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide?
The canonical SMILES for (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide is N#C/N=c1\c2cc(-c3ccc4ccccc4c3)ccc2c2cc3c(cc12)/c(=N/C#N)c1cc(-c2ccc4ccccc4c2)ccc13.
What is the InChIKey of (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide?
The InChIKey is HNRYERCDYOXRHP-UWXPRHHASA-N. The full InChI is InChI=1S/C42H22N4/c43-23-45-41-37-19-31(29-11-9-25-5-1-3-7-27(25)17-29)13-15-33(37)35-21-36-34-16-14-32(30-12-10-26-6-2-4-8-28(26)18-30)20-38(34)42(46-24-44)40(36)22-39(35)41/h1-22H/b45-41+,46-42+.
What are the key properties of (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide?
(10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide has a molecular weight of 582.67 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-cyanoimino-2,8-dinaphthalen-2-ylindeno[2,1-b]fluoren-12-ylidene)cyanamide is sourced from PubChem (CID 88884274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).