4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine

C54H52N2 — CID 58232463

IUPAC4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
SMILESCc1cccc(N(c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3cccc(C)c3)c3ccccc3C)cc(C)c2-4)c2ccccc2C)c1
InChIInChI=1S/C54H52N2/c1-33-17-15-21-39(25-33)55(49-23-13-11-19-35(49)3)41-27-37(5)51-43-31-46-44(32-45(43)53(7,8)47(51)29-41)52-38(6)28-42(30-48(52)54(46,9)10)56(40-22-16-18-34(2)26-40)50-24-14-12-20-36(50)4/h11-32H,1-10H3
InChIKeyJYIDXQADBJCNAX-UHFFFAOYSA-N
MW729.02 g/mol
LogP15.09
Rot. Bonds6

About 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine

4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine (PubChem CID 58232463) has the molecular formula C54H52N2 and a molecular weight of 729.02 g/mol. Its IUPAC name is 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

Compound Name4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
PubChem CID58232463
Molecular FormulaC54H52N2
Molecular Weight729.02 g/mol
Exact Mass728.41
IUPAC Name4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
SMILESCc1cccc(N(c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3cccc(C)c3)c3ccccc3C)cc(C)c2-4)c2ccccc2C)c1
InChIInChI=1S/C54H52N2/c1-33-17-15-21-39(25-33)55(49-23-13-11-19-35(49)3)41-27-37(5)51-43-31-46-44(32-45(43)53(7,8)47(51)29-41)52-38(6)28-42(30-48(52)54(46,9)10)56(40-22-16-18-34(2)26-40)50-24-14-12-20-36(50)4/h11-32H,1-10H3
InChIKeyJYIDXQADBJCNAX-UHFFFAOYSA-N
XLogP15.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.02
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine 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

4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 58232260
2-N,2-N,8-N,8-N-tetrakis(3,4-dimethylphenyl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene-2,8-diamine
CID 58232252
4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 90260304
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232307
N-(3,5-dimethylphenyl)-7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-2-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 89068057
1-N,1-N,5-N,5-N-tetraphenyl-3-N-(4-phenylphenyl)-3-N-(5,7,9,9-tetramethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117455
2-N,9-N-bis(1-benzothiophen-3-yl)-2-N,9-N-bis(3,5-dimethylphenyl)-4,7,11,11,12,12-hexamethylindeno[2,1-a]fluorene-2,9-diamine
CID 58232469
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
CID 59246550
2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 139772462
12,12,22,22-tetramethyl-9-N,19-N-bis(2-methylphenyl)-9-N,19-N-bis(4-propan-2-ylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 171449195
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117407
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426

Frequently Asked Questions

What is the IUPAC name of 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine?
The IUPAC name of 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine (CID 58232463) is 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine.
What is the SMILES notation for 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine?
The canonical SMILES for 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine is Cc1cccc(N(c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3cccc(C)c3)c3ccccc3C)cc(C)c2-4)c2ccccc2C)c1.
What is the InChIKey of 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine?
The InChIKey is JYIDXQADBJCNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N2/c1-33-17-15-21-39(25-33)55(49-23-13-11-19-35(49)3)41-27-37(5)51-43-31-46-44(32-45(43)53(7,8)47(51)29-41)52-38(6)28-42(30-48(52)54(46,9)10)56(40-22-16-18-34(2)26-40)50-24-14-12-20-36(50)4/h11-32H,1-10H3.
What are the key properties of 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine?
4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 729.02 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 58232463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).