4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile

C38H20N2 — CID 70854915

IUPAC4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)c4ccccc34)c3c2-c2cccc4cccc-3c24)c2ccccc12
InChIInChI=1S/C38H20N2/c39-21-24-15-17-30(28-11-3-1-9-26(24)28)32-19-20-33(31-18-16-25(22-40)27-10-2-4-12-29(27)31)38-35-14-6-8-23-7-5-13-34(36(23)35)37(32)38/h1-20H
InChIKeyIIEMHURFKGCPLS-UHFFFAOYSA-N
MW504.59 g/mol
LogP9.87
Rot. Bonds2

About 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile

4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile (PubChem CID 70854915) has the molecular formula C38H20N2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
PubChem CID70854915
Molecular FormulaC38H20N2
Molecular Weight504.59 g/mol
Exact Mass504.16
IUPAC Name4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(C#N)c4ccccc34)c3c2-c2cccc4cccc-3c24)c2ccccc12
InChIInChI=1S/C38H20N2/c39-21-24-15-17-30(28-11-3-1-9-26(24)28)32-19-20-33(31-18-16-25(22-40)27-10-2-4-12-29(27)31)38-35-14-6-8-23-7-5-13-34(36(23)35)37(32)38/h1-20H
InChIKeyIIEMHURFKGCPLS-UHFFFAOYSA-N
XLogP9.87
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile (CID 70854915) is 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile is N#Cc1ccc(-c2ccc(-c3ccc(C#N)c4ccccc34)c3c2-c2cccc4cccc-3c24)c2ccccc12.
What is the InChIKey of 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile?
The InChIKey is IIEMHURFKGCPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2/c39-21-24-15-17-30(28-11-3-1-9-26(24)28)32-19-20-33(31-18-16-25(22-40)27-10-2-4-12-29(27)31)38-35-14-6-8-23-7-5-13-34(36(23)35)37(32)38/h1-20H.
What are the key properties of 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile?
4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile has a molecular weight of 504.59 g/mol, XLogP of 9.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 70854915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).