N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine

C34H22BrFN2 — CID 134434019

IUPACN-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine
SMILESFc1ccc(N(c2ccc(-n3c4ccccc4c4cc(Br)ccc43)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C34H22BrFN2/c35-25-10-20-34-32(22-25)31-7-3-4-8-33(31)38(34)29-18-16-28(17-19-29)37(27-14-11-26(36)12-15-27)30-13-9-23-5-1-2-6-24(23)21-30/h1-22H
InChIKeyULMCFEAJUFPKCO-UHFFFAOYSA-N
MW557.47 g/mol
LogP10.31
Rot. Bonds4

About N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine

N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine (PubChem CID 134434019) has the molecular formula C34H22BrFN2 and a molecular weight of 557.47 g/mol. Its IUPAC name is N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine
PubChem CID134434019
Molecular FormulaC34H22BrFN2
Molecular Weight557.47 g/mol
Exact Mass556.10
IUPAC NameN-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine
SMILESFc1ccc(N(c2ccc(-n3c4ccccc4c4cc(Br)ccc43)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C34H22BrFN2/c35-25-10-20-34-32(22-25)31-7-3-4-8-33(31)38(34)29-18-16-28(17-19-29)37(27-14-11-26(36)12-15-27)30-13-9-23-5-1-2-6-24(23)21-30/h1-22H
InChIKeyULMCFEAJUFPKCO-UHFFFAOYSA-N
XLogP10.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.47
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine (CID 134434019) is N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine is Fc1ccc(N(c2ccc(-n3c4ccccc4c4cc(Br)ccc43)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine?
The InChIKey is ULMCFEAJUFPKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrFN2/c35-25-10-20-34-32(22-25)31-7-3-4-8-33(31)38(34)29-18-16-28(17-19-29)37(27-14-11-26(36)12-15-27)30-13-9-23-5-1-2-6-24(23)21-30/h1-22H.
What are the key properties of N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine?
N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine has a molecular weight of 557.47 g/mol, XLogP of 10.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromocarbazol-9-yl)phenyl]-N-(4-fluorophenyl)naphthalen-2-amine is sourced from PubChem (CID 134434019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).