N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine

C32H27N — CID 59133294

IUPACN-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C32H27N/c1-21(2)23-13-17-25(18-14-23)33(24-15-11-22(3)12-16-24)31-20-19-29-27-8-5-4-7-26(27)28-9-6-10-30(31)32(28)29/h4-21H,1-3H3
InChIKeyJLDKWFOZUWMFHJ-UHFFFAOYSA-N
MW425.58 g/mol
LogP9.39
Rot. Bonds4

About N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine

N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine (PubChem CID 59133294) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
PubChem CID59133294
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC NameN-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine
SMILESCc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C32H27N/c1-21(2)23-13-17-25(18-14-23)33(24-15-11-22(3)12-16-24)31-20-19-29-27-8-5-4-7-26(27)28-9-6-10-30(31)32(28)29/h4-21H,1-3H3
InChIKeyJLDKWFOZUWMFHJ-UHFFFAOYSA-N
XLogP9.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)fluoranthen-3-amine
CID 58903856
8-N,22-N-bis(4-methylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890344
ethane;N-[4-[4-(N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-phenylfluoranthen-3-amine
CID 91567047
4-N,9-N-bis(4-methylphenyl)-4-N,9-N-bis(4-propan-2-ylphenyl)pyrene-4,9-diamine
CID 59533086
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 59133310
N-[4-[4-(N-naphthalen-1-yl-4-propan-2-ylanilino)phenyl]phenyl]-N-(4-propan-2-ylphenyl)naphthalen-1-amine
CID 66791153
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[2-(4-propan-2-ylphenyl)phenyl]phenyl]chrysene-6,12-diamine
CID 140561610
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754
3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine
CID 87372229
1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
CID 20754064

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine?
The IUPAC name of N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine (CID 59133294) is N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine?
The canonical SMILES for N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine is Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine?
The InChIKey is JLDKWFOZUWMFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N/c1-21(2)23-13-17-25(18-14-23)33(24-15-11-22(3)12-16-24)31-20-19-29-27-8-5-4-7-26(27)28-9-6-10-30(31)32(28)29/h4-21H,1-3H3.
What are the key properties of N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine?
N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine has a molecular weight of 425.58 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)fluoranthen-3-amine is sourced from PubChem (CID 59133294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).