4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile

C59H41GeN3 — CID 140704670

IUPAC4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc([Ge](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C59H41GeN3/c61-42-43-24-33-53(34-25-43)63-58-23-13-12-22-56(58)57-41-55(38-39-59(57)63)62(54-37-30-44-14-10-11-15-47(44)40-54)52-35-28-46(29-36-52)45-26-31-51(32-27-45)60(48-16-4-1-5-17-48,49-18-6-2-7-19-49)50-20-8-3-9-21-50/h1-41H
InChIKeyCMOBVHXNGVJAJO-UHFFFAOYSA-N
MW864.61 g/mol
LogP12.32
Rot. Bonds9

About 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile

4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile (PubChem CID 140704670) has the molecular formula C59H41GeN3 and a molecular weight of 864.61 g/mol. Its IUPAC name is 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile
PubChem CID140704670
Molecular FormulaC59H41GeN3
Molecular Weight864.61 g/mol
Exact Mass865.25
IUPAC Name4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc([Ge](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C59H41GeN3/c61-42-43-24-33-53(34-25-43)63-58-23-13-12-22-56(58)57-41-55(38-39-59(57)63)62(54-37-30-44-14-10-11-15-47(44)40-54)52-35-28-46(29-36-52)45-26-31-51(32-27-45)60(48-16-4-1-5-17-48,49-18-6-2-7-19-49)50-20-8-3-9-21-50/h1-41H
InChIKeyCMOBVHXNGVJAJO-UHFFFAOYSA-N
XLogP12.32
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.61
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-bis(4-fluorophenyl)-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704816
4-(4-cyano-N-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]anilino)benzonitrile
CID 126734391
4-[4-phenyl-6-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]benzonitrile
CID 126730725
4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenanthren-9-ylphenyl)anilino]phenyl]benzonitrile
CID 146580569
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphthalen-2-yl)aniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-phenylnaphthalen-1-yl)anilino]phenyl]benzonitrile
CID 158321390
N-naphthalen-1-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-(4-triphenylgermylphenyl)carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-(4-triphenylgermylphenyl)carbazol-3-amine;N-(4-phenoxyphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-(4-triphenylgermylphenyl)carbazol-3-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-6-(4-triphenylgermylphenyl)carbazol-3-amine
CID 160633017
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine
CID 140704888
9-(4-fluorophenyl)-N-naphthalen-1-yl-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704846
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)-N-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 90336200

Frequently Asked Questions

What is the IUPAC name of 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile (CID 140704670) is 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc([Ge](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile?
The InChIKey is CMOBVHXNGVJAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41GeN3/c61-42-43-24-33-53(34-25-43)63-58-23-13-12-22-56(58)57-41-55(38-39-59(57)63)62(54-37-30-44-14-10-11-15-47(44)40-54)52-35-28-46(29-36-52)45-26-31-51(32-27-45)60(48-16-4-1-5-17-48,49-18-6-2-7-19-49)50-20-8-3-9-21-50/h1-41H.
What are the key properties of 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile?
4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile has a molecular weight of 864.61 g/mol, XLogP of 12.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[N-naphthalen-2-yl-4-(4-triphenylgermylphenyl)anilino]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 140704670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).