N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine

C112H74N2 — CID 158922425

IUPACN,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine
SMILESCc1cc(N(c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c(C)c2)c2ccc3ccccc3c2)ccc1-c1cc2ccc3cccc4ccc(c1)c2c34.Cc1cc2ccc3cc(-c4ccc(N(c5ccc(-c6cc7ccc8cc(C)cc9ccc(c6)c7c89)cc5)c5ccc6ccccc6c5)cc4)cc4ccc(c1)c2c34
InChIInChI=1S/2C56H37N/c1-34-27-48(23-25-51(34)46-29-42-17-13-37-9-5-10-38-14-18-43(30-46)55(42)53(37)38)57(50-22-21-36-7-3-4-8-41(36)33-50)49-24-26-52(35(2)28-49)47-31-44-19-15-39-11-6-12-40-16-20-45(32-47)56(44)54(39)40;1-34-25-40-7-11-44-29-48(30-45-12-8-41(26-34)53(40)55(44)45)37-15-20-50(21-16-37)57(52-24-19-36-5-3-4-6-39(36)33-52)51-22-17-38(18-23-51)49-31-46-13-9-42-27-35(2)28-43-10-14-47(32-49)56(46)54(42)43/h2*3-33H,1-2H3
InChIKeyJHZRWXYOCNTXLZ-UHFFFAOYSA-N
MW1447.84 g/mol
LogP32.11
Rot. Bonds10

About N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine

N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine (PubChem CID 158922425) has the molecular formula C112H74N2 and a molecular weight of 1447.84 g/mol. Its IUPAC name is N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine
PubChem CID158922425
Molecular FormulaC112H74N2
Molecular Weight1447.84 g/mol
Exact Mass1446.59
IUPAC NameN,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine
SMILESCc1cc(N(c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c(C)c2)c2ccc3ccccc3c2)ccc1-c1cc2ccc3cccc4ccc(c1)c2c34.Cc1cc2ccc3cc(-c4ccc(N(c5ccc(-c6cc7ccc8cc(C)cc9ccc(c6)c7c89)cc5)c5ccc6ccccc6c5)cc4)cc4ccc(c1)c2c34
InChIInChI=1S/2C56H37N/c1-34-27-48(23-25-51(34)46-29-42-17-13-37-9-5-10-38-14-18-43(30-46)55(42)53(37)38)57(50-22-21-36-7-3-4-8-41(36)33-50)49-24-26-52(35(2)28-49)47-31-44-19-15-39-11-6-12-40-16-20-45(32-47)56(44)54(39)40;1-34-25-40-7-11-44-29-48(30-45-12-8-41(26-34)53(40)55(44)45)37-15-20-50(21-16-37)57(52-24-19-36-5-3-4-6-39(36)33-52)51-22-17-38(18-23-51)49-31-46-13-9-42-27-35(2)28-43-10-14-47(32-49)56(46)54(42)43/h2*3-33H,1-2H3
InChIKeyJHZRWXYOCNTXLZ-UHFFFAOYSA-N
XLogP32.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001447.84
LogP ≤ 532.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-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-(3,5-dimethylphenyl)-N-(4-pyren-2-ylphenyl)pyren-2-amine
CID 90168379
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 121322814
N-[3-methyl-4-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-5-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]naphthalen-1-amine
CID 58121806
6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 121419333
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine (CID 158922425) is N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine is Cc1cc(N(c2ccc(-c3cc4ccc5cccc6ccc(c3)c4c56)c(C)c2)c2ccc3ccccc3c2)ccc1-c1cc2ccc3cccc4ccc(c1)c2c34.Cc1cc2ccc3cc(-c4ccc(N(c5ccc(-c6cc7ccc8cc(C)cc9ccc(c6)c7c89)cc5)c5ccc6ccccc6c5)cc4)cc4ccc(c1)c2c34.
What is the InChIKey of N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is JHZRWXYOCNTXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H37N/c1-34-27-48(23-25-51(34)46-29-42-17-13-37-9-5-10-38-14-18-43(30-46)55(42)53(37)38)57(50-22-21-36-7-3-4-8-41(36)33-50)49-24-26-52(35(2)28-49)47-31-44-19-15-39-11-6-12-40-16-20-45(32-47)56(44)54(39)40;1-34-25-40-7-11-44-29-48(30-45-12-8-41(26-34)53(40)55(44)45)37-15-20-50(21-16-37)57(52-24-19-36-5-3-4-6-39(36)33-52)51-22-17-38(18-23-51)49-31-46-13-9-42-27-35(2)28-43-10-14-47(32-49)56(46)54(42)43/h2*3-33H,1-2H3.
What are the key properties of N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine?
N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 1447.84 g/mol, XLogP of 32.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methyl-4-pyren-2-ylphenyl)naphthalen-2-amine;N,N-bis[4-(7-methylpyren-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 158922425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).