N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine

C45H28N2OS — CID 171747668

IUPACN-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2sc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)nc32)cc1
InChIInChI=1S/C45H28N2OS/c1-3-11-29(12-4-1)31-21-25-37-39(27-31)35-15-7-8-17-38(35)44-43(37)46-45(49-44)30-19-22-33(23-20-30)47(32-13-5-2-6-14-32)34-24-26-42-40(28-34)36-16-9-10-18-41(36)48-42/h1-28H
InChIKeyREUKYQYYVUJJKU-UHFFFAOYSA-N
MW644.80 g/mol
LogP13.31
Rot. Bonds5

About N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine

N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine (PubChem CID 171747668) has the molecular formula C45H28N2OS and a molecular weight of 644.80 g/mol. Its IUPAC name is N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
PubChem CID171747668
Molecular FormulaC45H28N2OS
Molecular Weight644.80 g/mol
Exact Mass644.19
IUPAC NameN-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2c2sc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)nc32)cc1
InChIInChI=1S/C45H28N2OS/c1-3-11-29(12-4-1)31-21-25-37-39(27-31)35-15-7-8-17-38(35)44-43(37)46-45(49-44)30-19-22-33(23-20-30)47(32-13-5-2-6-14-32)34-24-26-42-40(28-34)36-16-9-10-18-41(36)48-42/h1-28H
InChIKeyREUKYQYYVUJJKU-UHFFFAOYSA-N
XLogP13.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747492
N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine
CID 163891092
3-[2-dibenzofuran-2-yl-9-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-yl]-N,N-diphenylaniline
CID 171747596
N-phenyl-N-(4-phenylphenyl)-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747548
4-[4,7-bis(4-dibenzofuran-2-ylphenyl)-1,3-benzothiazol-2-yl]-N,N-diphenylaniline
CID 121425802
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412
N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747395
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
CID 171411304
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411564
N-(3-phenanthro[9,10-d][1,3]thiazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747612
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine (CID 171747668) is N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc3c(c2)c2ccccc2c2sc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)nc32)cc1.
What is the InChIKey of N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is REUKYQYYVUJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2OS/c1-3-11-29(12-4-1)31-21-25-37-39(27-31)35-15-7-8-17-38(35)44-43(37)46-45(49-44)30-19-22-33(23-20-30)47(32-13-5-2-6-14-32)34-24-26-42-40(28-34)36-16-9-10-18-41(36)48-42/h1-28H.
What are the key properties of N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine?
N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 644.80 g/mol, XLogP of 13.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 171747668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).