4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine

C146H116N8 — CID 161106770

IUPAC4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.CN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CN(c1ccccc1)c1ccc(N(C2=CC3C=CC=CC3C=C2)c2ccccc2)cc1.CN(c1ccccc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C44H32N2.C44H34N2.C29H24N2.C29H26N2/c1-45(31-24-26-34(27-25-31)46(32-14-4-2-5-15-32)33-16-6-3-7-17-33)35-28-29-39-38-20-10-13-23-42(38)44(43(39)30-35)40-21-11-8-18-36(40)37-19-9-12-22-41(37)44;1-45(35-26-28-38(29-27-35)46(36-20-10-4-11-21-36)37-22-12-5-13-23-37)39-30-31-41-40-24-14-15-25-42(40)44(43(41)32-39,33-16-6-2-7-17-33)34-18-8-3-9-19-34;1-30(24-13-4-2-5-14-24)25-19-21-27(22-20-25)31(26-15-6-3-7-16-26)29-18-10-12-23-11-8-9-17-28(23)29;1-30(25-12-4-2-5-13-25)26-18-20-28(21-19-26)31(27-14-6-3-7-15-27)29-17-16-23-10-8-9-11-24(23)22-29/h2-30H,1H3;2-32H,1H3;2-22H,1H3;2-24H,1H3
InChIKeyUJDPAYHBYCSKOT-UHFFFAOYSA-N
MW1982.59 g/mol
LogP38.04
Rot. Bonds22

About 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine

4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 161106770) has the molecular formula C146H116N8 and a molecular weight of 1982.59 g/mol. Its IUPAC name is 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID161106770
Molecular FormulaC146H116N8
Molecular Weight1982.59 g/mol
Exact Mass1980.93
IUPAC Name4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.CN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CN(c1ccccc1)c1ccc(N(C2=CC3C=CC=CC3C=C2)c2ccccc2)cc1.CN(c1ccccc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C44H32N2.C44H34N2.C29H24N2.C29H26N2/c1-45(31-24-26-34(27-25-31)46(32-14-4-2-5-15-32)33-16-6-3-7-17-33)35-28-29-39-38-20-10-13-23-42(38)44(43(39)30-35)40-21-11-8-18-36(40)37-19-9-12-22-41(37)44;1-45(35-26-28-38(29-27-35)46(36-20-10-4-11-21-36)37-22-12-5-13-23-37)39-30-31-41-40-24-14-15-25-42(40)44(43(41)32-39,33-16-6-2-7-17-33)34-18-8-3-9-19-34;1-30(24-13-4-2-5-14-24)25-19-21-27(22-20-25)31(26-15-6-3-7-16-26)29-18-10-12-23-11-8-9-17-28(23)29;1-30(25-12-4-2-5-13-25)26-18-20-28(21-19-26)31(27-14-6-3-7-15-27)29-17-16-23-10-8-9-11-24(23)22-29/h2-30H,1H3;2-32H,1H3;2-22H,1H3;2-24H,1H3
InChIKeyUJDPAYHBYCSKOT-UHFFFAOYSA-N
XLogP38.04
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001982.59
LogP ≤ 538.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine with MolForge

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Related Compounds

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
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N-methyl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;1-N-methyl-1-N-phenyl-4-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 158384191
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
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
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-bromophenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-bromophenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 158231660
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
2-N-naphthalen-1-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791654
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 157147321

Frequently Asked Questions

What is the IUPAC name of 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine (CID 161106770) is 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine is CN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.CN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CN(c1ccccc1)c1ccc(N(C2=CC3C=CC=CC3C=C2)c2ccccc2)cc1.CN(c1ccccc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is UJDPAYHBYCSKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2.C44H34N2.C29H24N2.C29H26N2/c1-45(31-24-26-34(27-25-31)46(32-14-4-2-5-15-32)33-16-6-3-7-17-33)35-28-29-39-38-20-10-13-23-42(38)44(43(39)30-35)40-21-11-8-18-36(40)37-19-9-12-22-41(37)44;1-45(35-26-28-38(29-27-35)46(36-20-10-4-11-21-36)37-22-12-5-13-23-37)39-30-31-41-40-24-14-15-25-42(40)44(43(41)32-39,33-16-6-2-7-17-33)34-18-8-3-9-19-34;1-30(24-13-4-2-5-14-24)25-19-21-27(22-20-25)31(26-15-6-3-7-16-26)29-18-10-12-23-11-8-9-17-28(23)29;1-30(25-12-4-2-5-13-25)26-18-20-28(21-19-26)31(27-14-6-3-7-15-27)29-17-16-23-10-8-9-11-24(23)22-29/h2-30H,1H3;2-32H,1H3;2-22H,1H3;2-24H,1H3.
What are the key properties of 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine?
4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 1982.59 g/mol, XLogP of 38.04, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4a,8a-dihydronaphthalen-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-(9,9-diphenylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 161106770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).