4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine

C56H45N3 — CID 163909242

IUPAC4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine
SMILESCc1ccccc1N(c1ccccc1)c1ccc(N(c2ccc3c(c2)C(C)c2ccccc2-3)c2ccc3cc(N(c4ccccc4)c4ccccc4)cc(C)c3c2)cc1
InChIInChI=1S/C56H45N3/c1-39-17-13-16-26-56(39)59(45-22-11-6-12-23-45)47-31-29-46(30-32-47)58(49-33-34-53-52-25-15-14-24-51(52)41(3)55(53)38-49)48-28-27-42-36-50(35-40(2)54(42)37-48)57(43-18-7-4-8-19-43)44-20-9-5-10-21-44/h4-38,41H,1-3H3
InChIKeyQQQSJNIVPIFZBE-UHFFFAOYSA-N
MW760.00 g/mol
LogP16.00
Rot. Bonds9

About 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine

4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine (PubChem CID 163909242) has the molecular formula C56H45N3 and a molecular weight of 760.00 g/mol. Its IUPAC name is 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine
PubChem CID163909242
Molecular FormulaC56H45N3
Molecular Weight760.00 g/mol
Exact Mass759.36
IUPAC Name4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine
SMILESCc1ccccc1N(c1ccccc1)c1ccc(N(c2ccc3c(c2)C(C)c2ccccc2-3)c2ccc3cc(N(c4ccccc4)c4ccccc4)cc(C)c3c2)cc1
InChIInChI=1S/C56H45N3/c1-39-17-13-16-26-56(39)59(45-22-11-6-12-23-45)47-31-29-46(30-32-47)58(49-33-34-53-52-25-15-14-24-51(52)41(3)55(53)38-49)48-28-27-42-36-50(35-40(2)54(42)37-48)57(43-18-7-4-8-19-43)44-20-9-5-10-21-44/h4-38,41H,1-3H3
InChIKeyQQQSJNIVPIFZBE-UHFFFAOYSA-N
XLogP16.00
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.00
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine
CID 18730181
4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 71210599
7-N,17-N-bis(2-methylphenyl)-7-N,17-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
CID 140738191
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
N-(9,9-dimethylfluoren-2-yl)-N-(4,6-dimethylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 174309467
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
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-N,16-N-bis(2-methylphenyl)-6-N,16-N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031866
3-methyl-4-[2-methyl-4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-(4-methylphenyl)aniline
CID 20562857
N-(2-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 137494879
N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 164802562

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine?
The IUPAC name of 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine (CID 163909242) is 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine.
What is the SMILES notation for 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine?
The canonical SMILES for 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine is Cc1ccccc1N(c1ccccc1)c1ccc(N(c2ccc3c(c2)C(C)c2ccccc2-3)c2ccc3cc(N(c4ccccc4)c4ccccc4)cc(C)c3c2)cc1.
What is the InChIKey of 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine?
The InChIKey is QQQSJNIVPIFZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N3/c1-39-17-13-16-26-56(39)59(45-22-11-6-12-23-45)47-31-29-46(30-32-47)58(49-33-34-53-52-25-15-14-24-51(52)41(3)55(53)38-49)48-28-27-42-36-50(35-40(2)54(42)37-48)57(43-18-7-4-8-19-43)44-20-9-5-10-21-44/h4-38,41H,1-3H3.
What are the key properties of 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine?
4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine has a molecular weight of 760.00 g/mol, XLogP of 16.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine is sourced from PubChem (CID 163909242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).