N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine

C63H47N5 — CID 122659641

IUPACN-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine
SMILESCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)nc3)cc2)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C63H47N5/c1-66-62(52-26-34-56(35-27-52)67(54-30-22-48(23-31-54)46-14-6-2-7-15-46)58-38-40-60(64-44-58)50-18-10-4-11-19-50)42-43-63(66)53-28-36-57(37-29-53)68(55-32-24-49(25-33-55)47-16-8-3-9-17-47)59-39-41-61(65-45-59)51-20-12-5-13-21-51/h2-45H,1H3
InChIKeyPGTLBVDGLYIKMM-UHFFFAOYSA-N
MW874.10 g/mol
LogP16.76
Rot. Bonds12

About N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine

N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 122659641) has the molecular formula C63H47N5 and a molecular weight of 874.10 g/mol. Its IUPAC name is N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine
PubChem CID122659641
Molecular FormulaC63H47N5
Molecular Weight874.10 g/mol
Exact Mass873.38
IUPAC NameN-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine
SMILESCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)nc3)cc2)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C63H47N5/c1-66-62(52-26-34-56(35-27-52)67(54-30-22-48(23-31-54)46-14-6-2-7-15-46)58-38-40-60(64-44-58)50-18-10-4-11-19-50)42-43-63(66)53-28-36-57(37-29-53)68(55-32-24-49(25-33-55)47-16-8-3-9-17-47)59-39-41-61(65-45-59)51-20-12-5-13-21-51/h2-45H,1H3
InChIKeyPGTLBVDGLYIKMM-UHFFFAOYSA-N
XLogP16.76
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.10
LogP ≤ 516.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-bromophenyl)phenyl]-N,6-diphenylpyridin-3-amine
CID 134182572
N,N-diphenyl-6-pyridin-3-ylpyridin-3-amine
CID 15982920
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline
CID 90058040
N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine
CID 118178096
3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine
CID 130353166
6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine
CID 121383405
N-[4-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine
CID 121261574
N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine
CID 59501105
N-phenyl-N-(3-trimethylsilylphenyl)-6-[4-[(E)-2-[4-[4-(N-(3-trimethylsilylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]pyridin-3-amine
CID 58511481
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine (CID 122659641) is N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine is Cn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)nc3)cc2)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)nc2)cc1.
What is the InChIKey of N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine?
The InChIKey is PGTLBVDGLYIKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47N5/c1-66-62(52-26-34-56(35-27-52)67(54-30-22-48(23-31-54)46-14-6-2-7-15-46)58-38-40-60(64-44-58)50-18-10-4-11-19-50)42-43-63(66)53-28-36-57(37-29-53)68(55-32-24-49(25-33-55)47-16-8-3-9-17-47)59-39-41-61(65-45-59)51-20-12-5-13-21-51/h2-45H,1H3.
What are the key properties of N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine?
N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 874.10 g/mol, XLogP of 16.76, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 122659641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).