N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C46H32N2 — CID 59288183

IUPACN-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Nc6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C46H32N2/c1-2-10-42(11-3-1)48-45-13-7-6-12-43(45)44-31-39(24-29-46(44)48)35-16-14-33(15-17-35)34-20-25-40(26-21-34)47-41-27-22-36(23-28-41)38-19-18-32-8-4-5-9-37(32)30-38/h1-31,47H
InChIKeySOGKSAIFCYEPMW-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.68
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 59288183) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID59288183
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Nc6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C46H32N2/c1-2-10-42(11-3-1)48-45-13-7-6-12-43(45)44-31-39(24-29-46(44)48)35-16-14-33(15-17-35)34-20-25-40(26-21-34)47-41-27-22-36(23-28-41)38-19-18-32-8-4-5-9-37(32)30-38/h1-31,47H
InChIKeySOGKSAIFCYEPMW-UHFFFAOYSA-N
XLogP12.68
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 59288183) is N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(Nc6ccc(-c7ccc8ccccc8c7)cc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is SOGKSAIFCYEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-2-10-42(11-3-1)48-45-13-7-6-12-43(45)44-31-39(24-29-46(44)48)35-16-14-33(15-17-35)34-20-25-40(26-21-34)47-41-27-22-36(23-28-41)38-19-18-32-8-4-5-9-37(32)30-38/h1-31,47H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 612.78 g/mol, XLogP of 12.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 59288183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).