7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile

C51H38N2 — CID 142425044

IUPAC7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(N)(c6ccccc6)c6ccccc6)cc5)c5ccccc45)cc3)cc21
InChIInChI=1S/C51H38N2/c1-50(2)48-31-34(33-52)17-27-46(48)47-28-24-38(32-49(47)50)35-18-20-36(21-19-35)42-29-30-43(45-16-10-9-15-44(42)45)37-22-25-41(26-23-37)51(53,39-11-5-3-6-12-39)40-13-7-4-8-14-40/h3-32H,53H2,1-2H3
InChIKeyLNYCLKQPZGEAIC-UHFFFAOYSA-N
MW678.88 g/mol
LogP12.27
Rot. Bonds6

About 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile

7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile (PubChem CID 142425044) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
PubChem CID142425044
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(N)(c6ccccc6)c6ccccc6)cc5)c5ccccc45)cc3)cc21
InChIInChI=1S/C51H38N2/c1-50(2)48-31-34(33-52)17-27-46(48)47-28-24-38(32-49(47)50)35-18-20-36(21-19-35)42-29-30-43(45-16-10-9-15-44(42)45)37-22-25-41(26-23-37)51(53,39-11-5-3-6-12-39)40-13-7-4-8-14-40/h3-32H,53H2,1-2H3
InChIKeyLNYCLKQPZGEAIC-UHFFFAOYSA-N
XLogP12.27
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 170276569
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
7-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile;methane
CID 160828918
7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421622
3-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]benzonitrile
CID 89026938
9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile
CID 90194761
4-(22,22-dimethyl-3,10-diphenyl-19-heptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16(21),17,19,23-tridecaenyl)benzonitrile
CID 153275974
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylquinazolin-2-yl)phenyl]fluorene-2-carbonitrile
CID 171421810
2-ethynyl-9,9-dimethyl-7-phenylfluorene
CID 59798595
9,9-dimethyl-7-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]fluorene-2-carbonitrile
CID 170371664
9,9-dimethyl-6-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 166796504
7-[4-[2-(4,6-diphenyl-1,3,5-triazinan-2-yl)naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 129099165

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The IUPAC name of 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile (CID 142425044) is 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile.
What is the SMILES notation for 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The canonical SMILES for 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(N)(c6ccccc6)c6ccccc6)cc5)c5ccccc45)cc3)cc21.
What is the InChIKey of 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The InChIKey is LNYCLKQPZGEAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-50(2)48-31-34(33-52)17-27-46(48)47-28-24-38(32-49(47)50)35-18-20-36(21-19-35)42-29-30-43(45-16-10-9-15-44(42)45)37-22-25-41(26-23-37)51(53,39-11-5-3-6-12-39)40-13-7-4-8-14-40/h3-32H,53H2,1-2H3.
What are the key properties of 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile has a molecular weight of 678.88 g/mol, XLogP of 12.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile is sourced from PubChem (CID 142425044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).