3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

C49H40N2 — CID 59782322

IUPAC3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCc1cc2c(cc1N(c1ccccc1)c1cccc3ccccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4ccccc34)c(C)cc1-2
InChIInChI=1S/C49H40N2/c1-33-29-41-42-30-34(2)48(51(38-23-9-6-10-24-38)46-28-16-20-36-18-12-14-26-40(36)46)32-44(42)49(3,4)43(41)31-47(33)50(37-21-7-5-8-22-37)45-27-15-19-35-17-11-13-25-39(35)45/h5-32H,1-4H3
InChIKeyNBZOTHDBHFSAFF-UHFFFAOYSA-N
MW656.87 g/mol
LogP13.86
Rot. Bonds6

About 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 59782322) has the molecular formula C49H40N2 and a molecular weight of 656.87 g/mol. Its IUPAC name is 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID59782322
Molecular FormulaC49H40N2
Molecular Weight656.87 g/mol
Exact Mass656.32
IUPAC Name3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCc1cc2c(cc1N(c1ccccc1)c1cccc3ccccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4ccccc34)c(C)cc1-2
InChIInChI=1S/C49H40N2/c1-33-29-41-42-30-34(2)48(51(38-23-9-6-10-24-38)46-28-16-20-36-18-12-14-26-40(36)46)32-44(42)49(3,4)43(41)31-47(33)50(37-21-7-5-8-22-37)45-27-15-19-35-17-11-13-25-39(35)45/h5-32H,1-4H3
InChIKeyNBZOTHDBHFSAFF-UHFFFAOYSA-N
XLogP13.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555696
7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90896826
N,N-diphenylnaphthalen-1-amine
CID 11392281
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556

Frequently Asked Questions

What is the IUPAC name of 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 59782322) is 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is Cc1cc2c(cc1N(c1ccccc1)c1cccc3ccccc13)C(C)(C)c1cc(N(c3ccccc3)c3cccc4ccccc34)c(C)cc1-2.
What is the InChIKey of 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is NBZOTHDBHFSAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N2/c1-33-29-41-42-30-34(2)48(51(38-23-9-6-10-24-38)46-28-16-20-36-18-12-14-26-40(36)46)32-44(42)49(3,4)43(41)31-47(33)50(37-21-7-5-8-22-37)45-27-15-19-35-17-11-13-25-39(35)45/h5-32H,1-4H3.
What are the key properties of 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 656.87 g/mol, XLogP of 13.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,9-tetramethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 59782322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).