ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile

C51H36N2 — CID 143844229

IUPACethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile
SMILESCC.N#Cc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccc(-c6ccccc6)cc45)ccc32)cc1
InChIInChI=1S/C49H30N2.C2H6/c50-31-32-18-24-39(25-19-32)51-46-17-9-8-14-40(46)44-30-38(23-27-47(44)51)49-42-16-7-6-15-41(42)48(37-21-20-34-12-4-5-13-35(34)28-37)43-26-22-36(29-45(43)49)33-10-2-1-3-11-33;1-2/h1-30H;1-2H3
InChIKeyLVGOJPMSVHFAKA-UHFFFAOYSA-N
MW676.86 g/mol
LogP14.14
Rot. Bonds4

About ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile

ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile (PubChem CID 143844229) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Nameethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile
PubChem CID143844229
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Nameethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile
SMILESCC.N#Cc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccc(-c6ccccc6)cc45)ccc32)cc1
InChIInChI=1S/C49H30N2.C2H6/c50-31-32-18-24-39(25-19-32)51-46-17-9-8-14-40(46)44-30-38(23-27-47(44)51)49-42-16-7-6-15-41(42)48(37-21-20-34-12-4-5-13-35(34)28-37)43-26-22-36(29-45(43)49)33-10-2-1-3-11-33;1-2/h1-30H;1-2H3
InChIKeyLVGOJPMSVHFAKA-UHFFFAOYSA-N
XLogP14.14
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
4-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)carbazol-9-yl]benzonitrile
CID 146617362
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile (CID 143844229) is ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile is CC.N#Cc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccc(-c6ccccc6)cc45)ccc32)cc1.
What is the InChIKey of ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile?
The InChIKey is LVGOJPMSVHFAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2.C2H6/c50-31-32-18-24-39(25-19-32)51-46-17-9-8-14-40(46)44-30-38(23-27-47(44)51)49-42-16-7-6-15-41(42)48(37-21-20-34-12-4-5-13-35(34)28-37)43-26-22-36(29-45(43)49)33-10-2-1-3-11-33;1-2/h1-30H;1-2H3.
What are the key properties of ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile?
ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile has a molecular weight of 676.86 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 143844229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).