N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine

C68H50FGeN3 — CID 140704888

IUPACN-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccc(F)cc4)c4ccc5c(c4)c4cc(-c6ccc([Ge](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C68H50FGeN3/c1-47-22-33-57(34-23-47)72-65-21-13-12-20-61(65)63-45-59(39-42-67(63)72)71(56-37-29-51(69)30-38-56)60-40-43-68-64(46-60)62-44-50(28-41-66(62)73(68)58-35-24-48(2)25-36-58)49-26-31-55(32-27-49)70(52-14-6-3-7-15-52,53-16-8-4-9-17-53)54-18-10-5-11-19-54/h3-46H,1-2H3
InChIKeySMOKZZVSHRHMER-UHFFFAOYSA-N
MW1000.78 g/mol
LogP15.15
Rot. Bonds10

About N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine

N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine (PubChem CID 140704888) has the molecular formula C68H50FGeN3 and a molecular weight of 1000.78 g/mol. Its IUPAC name is N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine
PubChem CID140704888
Molecular FormulaC68H50FGeN3
Molecular Weight1000.78 g/mol
Exact Mass1001.32
IUPAC NameN-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccc(F)cc4)c4ccc5c(c4)c4cc(-c6ccc([Ge](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C68H50FGeN3/c1-47-22-33-57(34-23-47)72-65-21-13-12-20-61(65)63-45-59(39-42-67(63)72)71(56-37-29-51(69)30-38-56)60-40-43-68-64(46-60)62-44-50(28-41-66(62)73(68)58-35-24-48(2)25-36-58)49-26-31-55(32-27-49)70(52-14-6-3-7-15-52,53-16-8-4-9-17-53)54-18-10-5-11-19-54/h3-46H,1-2H3
InChIKeySMOKZZVSHRHMER-UHFFFAOYSA-N
XLogP15.15
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.78
LogP ≤ 515.15
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
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
4-N-[9-(4-fluorophenyl)-6-triphenylgermylcarbazol-3-yl]-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 140704798
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
9-(4-fluorophenyl)-N-naphthalen-1-yl-N-[4-(4-triphenylgermylphenyl)phenyl]carbazol-3-amine
CID 140704846
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
N,4-bis(4-fluorophenyl)-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 159229959
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine?
The IUPAC name of N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine (CID 140704888) is N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine is Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(F)cc4)c4ccc5c(c4)c4cc(-c6ccc([Ge](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine?
The InChIKey is SMOKZZVSHRHMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50FGeN3/c1-47-22-33-57(34-23-47)72-65-21-13-12-20-61(65)63-45-59(39-42-67(63)72)71(56-37-29-51(69)30-38-56)60-40-43-68-64(46-60)62-44-50(28-41-66(62)73(68)58-35-24-48(2)25-36-58)49-26-31-55(32-27-49)70(52-14-6-3-7-15-52,53-16-8-4-9-17-53)54-18-10-5-11-19-54/h3-46H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine?
N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine has a molecular weight of 1000.78 g/mol, XLogP of 15.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)carbazol-3-yl]-6-(4-triphenylgermylphenyl)carbazol-3-amine is sourced from PubChem (CID 140704888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).