7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine

C117H90N6 — CID 160681828

IUPAC7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.CN(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C44H32N2.C44H34N2.C29H24N2/c1-45(31-15-5-2-6-16-31)34-25-27-38-39-28-26-35(46(32-17-7-3-8-18-32)33-19-9-4-10-20-33)30-43(39)44(42(38)29-34)40-23-13-11-21-36(40)37-22-12-14-24-41(37)44;1-45(35-21-11-4-12-22-35)38-27-29-40-41-30-28-39(46(36-23-13-5-14-24-36)37-25-15-6-16-26-37)32-43(41)44(42(40)31-38,33-17-7-2-8-18-33)34-19-9-3-10-20-34;1-30(23-13-5-2-6-14-23)28-21-22-29(27-20-12-11-19-26(27)28)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-30H,1H3;2-32H,1H3;2-22H,1H3
InChIKeyROGBWGVOFQLDKS-UHFFFAOYSA-N
MW1580.05 g/mol
LogP30.63
Rot. Bonds17

About 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine

7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 160681828) has the molecular formula C117H90N6 and a molecular weight of 1580.05 g/mol. Its IUPAC name is 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID160681828
Molecular FormulaC117H90N6
Molecular Weight1580.05 g/mol
Exact Mass1578.72
IUPAC Name7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.CN(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C44H32N2.C44H34N2.C29H24N2/c1-45(31-15-5-2-6-16-31)34-25-27-38-39-28-26-35(46(32-17-7-3-8-18-32)33-19-9-4-10-20-33)30-43(39)44(42(38)29-34)40-23-13-11-21-36(40)37-22-12-14-24-41(37)44;1-45(35-21-11-4-12-22-35)38-27-29-40-41-30-28-39(46(36-23-13-5-14-24-36)37-25-15-6-16-26-37)32-43(41)44(42(40)31-38,33-17-7-2-8-18-33)34-19-9-3-10-20-34;1-30(23-13-5-2-6-14-23)28-21-22-29(27-20-12-11-19-26(27)28)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-30H,1H3;2-32H,1H3;2-22H,1H3
InChIKeyROGBWGVOFQLDKS-UHFFFAOYSA-N
XLogP30.63
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001580.05
LogP ≤ 530.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine with MolForge

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Related Compounds

1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)naphthalene-1,4-diamine;N-methyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 158675579
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine
CID 58903670
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 159519598
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-triphenylen-2-ylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481221
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369

Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine (CID 160681828) is 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine is CN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12.CN(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.CN(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.
What is the InChIKey of 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is ROGBWGVOFQLDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2.C44H34N2.C29H24N2/c1-45(31-15-5-2-6-16-31)34-25-27-38-39-28-26-35(46(32-17-7-3-8-18-32)33-19-9-4-10-20-33)30-43(39)44(42(38)29-34)40-23-13-11-21-36(40)37-22-12-14-24-41(37)44;1-45(35-21-11-4-12-22-35)38-27-29-40-41-30-28-39(46(36-23-13-5-14-24-36)37-25-15-6-16-26-37)32-43(41)44(42(40)31-38,33-17-7-2-8-18-33)34-19-9-3-10-20-34;1-30(23-13-5-2-6-14-23)28-21-22-29(27-20-12-11-19-26(27)28)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-30H,1H3;2-32H,1H3;2-22H,1H3.
What are the key properties of 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine?
7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 1580.05 g/mol, XLogP of 30.63, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 160681828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).