9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

C46H38FN3O4 — CID 118857180

IUPAC9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C46H38FN3O4/c1-51-39-19-9-32(10-20-39)48(33-11-21-40(52-2)22-12-33)37-17-27-45-43(29-37)44-30-38(18-28-46(44)50(45)36-7-5-31(47)6-8-36)49(34-13-23-41(53-3)24-14-34)35-15-25-42(54-4)26-16-35/h5-30H,1-4H3
InChIKeyYPUXHYSQFDEREV-UHFFFAOYSA-N
MW715.83 g/mol
LogP11.90
Rot. Bonds11

About 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 118857180) has the molecular formula C46H38FN3O4 and a molecular weight of 715.83 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID118857180
Molecular FormulaC46H38FN3O4
Molecular Weight715.83 g/mol
Exact Mass715.28
IUPAC Name9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C46H38FN3O4/c1-51-39-19-9-32(10-20-39)48(33-11-21-40(52-2)22-12-33)37-17-27-45-43(29-37)44-30-38(18-28-46(44)50(45)36-7-5-31(47)6-8-36)49(34-13-23-41(53-3)24-14-34)35-15-25-42(54-4)26-16-35/h5-30H,1-4H3
InChIKeyYPUXHYSQFDEREV-UHFFFAOYSA-N
XLogP11.90
TPSA48.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.83
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 118857180) is 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3-c2ccc(F)cc2)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is YPUXHYSQFDEREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38FN3O4/c1-51-39-19-9-32(10-20-39)48(33-11-21-40(52-2)22-12-33)37-17-27-45-43(29-37)44-30-38(18-28-46(44)50(45)36-7-5-31(47)6-8-36)49(34-13-23-41(53-3)24-14-34)35-15-25-42(54-4)26-16-35/h5-30H,1-4H3.
What are the key properties of 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 715.83 g/mol, XLogP of 11.90, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 118857180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).