1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine

C41H36N2 — CID 151225285

IUPAC1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine
SMILESCc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)-c2cccc(N(c4cccc(C)c4)c4cccc(C)c4)c2C3)c1
InChIInChI=1S/C41H36N2/c1-28-10-5-14-33(22-28)42(34-15-6-11-29(2)23-34)37-21-20-32-26-40-38(39(32)27-37)18-9-19-41(40)43(35-16-7-12-30(3)24-35)36-17-8-13-31(4)25-36/h5-25,27H,26H2,1-4H3
InChIKeyNNDDMRPENMHEBQ-UHFFFAOYSA-N
MW556.75 g/mol
LogP11.43
Rot. Bonds6

About 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine

1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine (PubChem CID 151225285) has the molecular formula C41H36N2 and a molecular weight of 556.75 g/mol. Its IUPAC name is 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine
PubChem CID151225285
Molecular FormulaC41H36N2
Molecular Weight556.75 g/mol
Exact Mass556.29
IUPAC Name1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine
SMILESCc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)-c2cccc(N(c4cccc(C)c4)c4cccc(C)c4)c2C3)c1
InChIInChI=1S/C41H36N2/c1-28-10-5-14-33(22-28)42(34-15-6-11-29(2)23-34)37-21-20-32-26-40-38(39(32)27-37)18-9-19-41(40)43(35-16-7-12-30(3)24-35)36-17-8-13-31(4)25-36/h5-25,27H,26H2,1-4H3
InChIKeyNNDDMRPENMHEBQ-UHFFFAOYSA-N
XLogP11.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine
CID 154020367
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073
6-N,18-N-bis(9H-fluoren-1-yl)-6-N,18-N-bis(4-methylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 162703229
3-methyl-4-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline
CID 20562854
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
9-N,26-N-bis(3-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine
CID 167347206
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine?
The IUPAC name of 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine (CID 151225285) is 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine.
What is the SMILES notation for 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine?
The canonical SMILES for 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine is Cc1cccc(N(c2cccc(C)c2)c2ccc3c(c2)-c2cccc(N(c4cccc(C)c4)c4cccc(C)c4)c2C3)c1.
What is the InChIKey of 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine?
The InChIKey is NNDDMRPENMHEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N2/c1-28-10-5-14-33(22-28)42(34-15-6-11-29(2)23-34)37-21-20-32-26-40-38(39(32)27-37)18-9-19-41(40)43(35-16-7-12-30(3)24-35)36-17-8-13-31(4)25-36/h5-25,27H,26H2,1-4H3.
What are the key properties of 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine?
1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine has a molecular weight of 556.75 g/mol, XLogP of 11.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,6-N,6-N-tetrakis(3-methylphenyl)-9H-fluorene-1,6-diamine is sourced from PubChem (CID 151225285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).