N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine

C101H146N4 — CID 160575408

IUPACN,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(CN(c2ccccc2)c2cccc3c2-c2ccccc2C3)c2cccc3c2-c2ccccc2C3)cc1.c1ccc(N(CN(c2ccccc2)c2cccc3c2-c2ccccc2C3)c2ccccc2)cc1
InChIInChI=1S/C39H30N2.C32H26N2.15C2H6/c1-3-17-32(18-4-1)40(36-23-11-15-30-25-28-13-7-9-21-34(28)38(30)36)27-41(33-19-5-2-6-20-33)37-24-12-16-31-26-29-14-8-10-22-35(29)39(31)37;1-4-15-27(16-5-1)33(28-17-6-2-7-18-28)24-34(29-19-8-3-9-20-29)31-22-12-14-26-23-25-13-10-11-21-30(25)32(26)31;15*1-2/h1-24H,25-27H2;1-22H,23-24H2;15*1-2H3
InChIKeyRBBUJCBSIGVYEJ-UHFFFAOYSA-N
MW1416.31 g/mol
LogP33.35
Rot. Bonds12

About N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine

N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine (PubChem CID 160575408) has the molecular formula C101H146N4 and a molecular weight of 1416.31 g/mol. Its IUPAC name is N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine.

Molecular Properties

Compound NameN,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine
PubChem CID160575408
Molecular FormulaC101H146N4
Molecular Weight1416.31 g/mol
Exact Mass1415.15
IUPAC NameN,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(CN(c2ccccc2)c2cccc3c2-c2ccccc2C3)c2cccc3c2-c2ccccc2C3)cc1.c1ccc(N(CN(c2ccccc2)c2cccc3c2-c2ccccc2C3)c2ccccc2)cc1
InChIInChI=1S/C39H30N2.C32H26N2.15C2H6/c1-3-17-32(18-4-1)40(36-23-11-15-30-25-28-13-7-9-21-34(28)38(30)36)27-41(33-19-5-2-6-20-33)37-24-12-16-31-26-29-14-8-10-22-35(29)39(31)37;1-4-15-27(16-5-1)33(28-17-6-2-7-18-28)24-34(29-19-8-3-9-20-29)31-22-12-14-26-23-25-13-10-11-21-30(25)32(26)31;15*1-2/h1-24H,25-27H2;1-22H,23-24H2;15*1-2H3
InChIKeyRBBUJCBSIGVYEJ-UHFFFAOYSA-N
XLogP33.35
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001416.31
LogP ≤ 533.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-4-yl)-1-phenylhydrazine
CID 174550234
ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine
CID 158504625
9H-fluoren-4-ylboronic acid
CID 68786516
4-(phenoxymethyl)-9H-fluorene
CID 3414387
4,5-dimethyl-9H-fluorene
CID 14389533
N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 142377963
ethene;9H-fluorene
CID 159544077
ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
CID 167662682
ethane;2-(9H-fluoren-4-yl)-4,6-dimethyl-1,3,5-triazine
CID 165000125
tetrakis(9,9-dimethylfluorene);ethane;N-ethyl-N,2-diphenylaniline;N-ethyl-N,4-diphenylaniline;pentakis(N-ethyl-N-phenylaniline);N-ethyl-N-phenylnaphthalen-1-amine;tetrakis(9H-fluorene)
CID 159080536
2-(9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 148755386
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine?
The IUPAC name of N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine (CID 160575408) is N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine.
What is the SMILES notation for N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine?
The canonical SMILES for N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(CN(c2ccccc2)c2cccc3c2-c2ccccc2C3)c2cccc3c2-c2ccccc2C3)cc1.c1ccc(N(CN(c2ccccc2)c2cccc3c2-c2ccccc2C3)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine?
The InChIKey is RBBUJCBSIGVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2.C32H26N2.15C2H6/c1-3-17-32(18-4-1)40(36-23-11-15-30-25-28-13-7-9-21-34(28)38(30)36)27-41(33-19-5-2-6-20-33)37-24-12-16-31-26-29-14-8-10-22-35(29)39(31)37;1-4-15-27(16-5-1)33(28-17-6-2-7-18-28)24-34(29-19-8-3-9-20-29)31-22-12-14-26-23-25-13-10-11-21-30(25)32(26)31;15*1-2/h1-24H,25-27H2;1-22H,23-24H2;15*1-2H3.
What are the key properties of N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine?
N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine has a molecular weight of 1416.31 g/mol, XLogP of 33.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(9H-fluoren-4-yl)-N,N'-diphenylmethanediamine;ethane;N'-(9H-fluoren-4-yl)-N,N,N'-triphenylmethanediamine is sourced from PubChem (CID 160575408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).