4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile

C126H74N12 — CID 146653761

IUPAC4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3cc(-c4cc5ccccc5cc4-c4cc(-c5ccccn5)nc(-c5cc(-c6ccc(-c7cc(-c8cc9ccccc9cc8-c8ccc9c(-c%10ccc(C#N)cc%10)cccc9c8)cc(-c8ccc(-c9cccc(-c%10cc(-c%11cc%12ccccc%12cc%11-c%11ccc%12ccc(-c%13ccc(C#N)cc%13)cc%12c%11)cc(-c%11ccccn%11)n%10)n9)cn8)n7)nc6)ccn5)c4)ccc3c2)cc1
InChIInChI=1S/C126H74N12/c127-73-78-25-31-81(32-26-78)91-40-41-94-56-97(44-42-93(94)55-91)108-60-85-13-1-4-18-90(85)65-113(108)105-68-122(116-22-8-10-53-131-116)138-126(72-105)120-66-95(51-54-132-120)100-46-49-117(133-76-100)123-69-103(111-63-88-16-6-3-15-87(88)62-110(111)99-45-48-107-96(58-99)19-11-20-106(107)84-35-29-80(75-129)30-36-84)70-124(136-123)118-50-47-101(77-134-118)114-23-12-24-119(135-114)125-71-104(67-121(137-125)115-21-7-9-52-130-115)112-64-89-17-5-2-14-86(89)61-109(112)98-43-38-83-37-39-92(57-102(83)59-98)82-33-27-79(74-128)28-34-82/h1-72,76-77H
InChIKeyAJICIKXVTWOFEH-UHFFFAOYSA-N
MW1756.06 g/mol
LogP31.11
Rot. Bonds17

About 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile

4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile (PubChem CID 146653761) has the molecular formula C126H74N12 and a molecular weight of 1756.06 g/mol. Its IUPAC name is 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile
PubChem CID146653761
Molecular FormulaC126H74N12
Molecular Weight1756.06 g/mol
Exact Mass1754.62
IUPAC Name4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3cc(-c4cc5ccccc5cc4-c4cc(-c5ccccn5)nc(-c5cc(-c6ccc(-c7cc(-c8cc9ccccc9cc8-c8ccc9c(-c%10ccc(C#N)cc%10)cccc9c8)cc(-c8ccc(-c9cccc(-c%10cc(-c%11cc%12ccccc%12cc%11-c%11ccc%12ccc(-c%13ccc(C#N)cc%13)cc%12c%11)cc(-c%11ccccn%11)n%10)n9)cn8)n7)nc6)ccn5)c4)ccc3c2)cc1
InChIInChI=1S/C126H74N12/c127-73-78-25-31-81(32-26-78)91-40-41-94-56-97(44-42-93(94)55-91)108-60-85-13-1-4-18-90(85)65-113(108)105-68-122(116-22-8-10-53-131-116)138-126(72-105)120-66-95(51-54-132-120)100-46-49-117(133-76-100)123-69-103(111-63-88-16-6-3-15-87(88)62-110(111)99-45-48-107-96(58-99)19-11-20-106(107)84-35-29-80(75-129)30-36-84)70-124(136-123)118-50-47-101(77-134-118)114-23-12-24-119(135-114)125-71-104(67-121(137-125)115-21-7-9-52-130-115)112-64-89-17-5-2-14-86(89)61-109(112)98-43-38-83-37-39-92(57-102(83)59-98)82-33-27-79(74-128)28-34-82/h1-72,76-77H
InChIKeyAJICIKXVTWOFEH-UHFFFAOYSA-N
XLogP31.11
TPSA187.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001756.06
LogP ≤ 531.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146654056
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654074
7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 146654049
3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
CID 162110199
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
4-[3,5-bis(4-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine;2-(3,5-dinaphthalen-1-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)pyrimidine;2,6-diphenyl-4-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]pyridine
CID 159726197
4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 166685120
5-anthracen-1-yl-2-pyridin-2-ylpyridine
CID 58813785
4,6-diphenyl-2-[3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 165064030
4-[2-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]benzonitrile;2-[4-[4-[6-[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165082365
4-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-2-ylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-3-ylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-4-ylpyrimidine
CID 158234188

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile (CID 146653761) is 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3cc(-c4cc5ccccc5cc4-c4cc(-c5ccccn5)nc(-c5cc(-c6ccc(-c7cc(-c8cc9ccccc9cc8-c8ccc9c(-c%10ccc(C#N)cc%10)cccc9c8)cc(-c8ccc(-c9cccc(-c%10cc(-c%11cc%12ccccc%12cc%11-c%11ccc%12ccc(-c%13ccc(C#N)cc%13)cc%12c%11)cc(-c%11ccccn%11)n%10)n9)cn8)n7)nc6)ccn5)c4)ccc3c2)cc1.
What is the InChIKey of 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The InChIKey is AJICIKXVTWOFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H74N12/c127-73-78-25-31-81(32-26-78)91-40-41-94-56-97(44-42-93(94)55-91)108-60-85-13-1-4-18-90(85)65-113(108)105-68-122(116-22-8-10-53-131-116)138-126(72-105)120-66-95(51-54-132-120)100-46-49-117(133-76-100)123-69-103(111-63-88-16-6-3-15-87(88)62-110(111)99-45-48-107-96(58-99)19-11-20-106(107)84-35-29-80(75-129)30-36-84)70-124(136-123)118-50-47-101(77-134-118)114-23-12-24-119(135-114)125-71-104(67-121(137-125)115-21-7-9-52-130-115)112-64-89-17-5-2-14-86(89)61-109(112)98-43-38-83-37-39-92(57-102(83)59-98)82-33-27-79(74-128)28-34-82/h1-72,76-77H.
What are the key properties of 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile has a molecular weight of 1756.06 g/mol, XLogP of 31.11, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 146653761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).