N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine

C49H35N3O — CID 130250366

IUPACN-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2c2ccccc2n3-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C49H35N3O/c1-34-22-26-37(27-23-34)50(38-28-24-36(25-29-38)35-12-3-2-4-13-35)45-18-11-19-46-49(45)41-14-5-6-15-42(41)51(46)39-30-32-40(33-31-39)52-43-16-7-9-20-47(43)53-48-21-10-8-17-44(48)52/h2-33H,1H3
InChIKeyOYCNZMXVKUFDGC-UHFFFAOYSA-N
MW681.84 g/mol
LogP13.80
Rot. Bonds6

About N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine

N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine (PubChem CID 130250366) has the molecular formula C49H35N3O and a molecular weight of 681.84 g/mol. Its IUPAC name is N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
PubChem CID130250366
Molecular FormulaC49H35N3O
Molecular Weight681.84 g/mol
Exact Mass681.28
IUPAC NameN-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2c2ccccc2n3-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C49H35N3O/c1-34-22-26-37(27-23-34)50(38-28-24-36(25-29-38)35-12-3-2-4-13-35)45-18-11-19-46-49(45)41-14-5-6-15-42(41)51(46)39-30-32-40(33-31-39)52-43-16-7-9-20-47(43)53-48-21-10-8-17-44(48)52/h2-33H,1H3
InChIKeyOYCNZMXVKUFDGC-UHFFFAOYSA-N
XLogP13.80
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
9-(4-methoxyphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377538
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
[4-(4-phenyl-N-(9-phenylcarbazol-4-yl)anilino)phenyl]boronic acid
CID 171410503
N,N,9-tris(4-phenylphenyl)carbazol-2-amine;N,N,9-tris(4-phenylphenyl)carbazol-3-amine;N,N,9-tris(4-phenylphenyl)carbazol-4-amine
CID 159285167
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine
CID 172537492
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
CID 155004275
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 177077786
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine (CID 130250366) is N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2c2ccccc2n3-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine?
The InChIKey is OYCNZMXVKUFDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3O/c1-34-22-26-37(27-23-34)50(38-28-24-36(25-29-38)35-12-3-2-4-13-35)45-18-11-19-46-49(45)41-14-5-6-15-42(41)51(46)39-30-32-40(33-31-39)52-43-16-7-9-20-47(43)53-48-21-10-8-17-44(48)52/h2-33H,1H3.
What are the key properties of N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine?
N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine has a molecular weight of 681.84 g/mol, XLogP of 13.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 130250366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).