2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine

C51H44N4S2 — CID 145321926

IUPAC2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4[nH]ccc4c3)ccc2-c2ccc(N(c3ccccc3)c3cccc4c3C=CCC4)cc21.NSS
InChIInChI=1S/C51H41N3.H3NS2/c1-51(2)47-33-42(53(41-26-29-49-38(32-41)30-31-52-49)40-22-20-36(21-23-40)35-12-5-3-6-13-35)24-27-45(47)46-28-25-43(34-48(46)51)54(39-16-7-4-8-17-39)50-19-11-15-37-14-9-10-18-44(37)50;1-3-2/h3-8,10-13,15-34,52H,9,14H2,1-2H3;2H,1H2
InChIKeyUXUCJUDCXMHJMB-UHFFFAOYSA-N
MW777.08 g/mol
LogP14.48
Rot. Bonds7

About 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine

2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine (PubChem CID 145321926) has the molecular formula C51H44N4S2 and a molecular weight of 777.08 g/mol. Its IUPAC name is 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine.

Molecular Properties

Compound Name2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine
PubChem CID145321926
Molecular FormulaC51H44N4S2
Molecular Weight777.08 g/mol
Exact Mass776.30
IUPAC Name2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4[nH]ccc4c3)ccc2-c2ccc(N(c3ccccc3)c3cccc4c3C=CCC4)cc21.NSS
InChIInChI=1S/C51H41N3.H3NS2/c1-51(2)47-33-42(53(41-26-29-49-38(32-41)30-31-52-49)40-22-20-36(21-23-40)35-12-5-3-6-13-35)24-27-45(47)46-28-25-43(34-48(46)51)54(39-16-7-4-8-17-39)50-19-11-15-37-14-9-10-18-44(37)50;1-3-2/h3-8,10-13,15-34,52H,9,14H2,1-2H3;2H,1H2
InChIKeyUXUCJUDCXMHJMB-UHFFFAOYSA-N
XLogP14.48
TPSA48.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.08
LogP ≤ 514.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine
CID 170143243
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
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
CID 153357644
2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 118065693
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
11,11,12,12-tetramethyl-2-N,9-N,9-N-triphenyl-2-N-[3-[4-(N-[6,6,12,12-tetramethyl-8-(N-phenylanilino)indeno[1,2-b]fluoren-2-yl]anilino)phenyl]phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 134269456
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295

Frequently Asked Questions

What is the IUPAC name of 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine?
The IUPAC name of 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine (CID 145321926) is 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine.
What is the SMILES notation for 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine?
The canonical SMILES for 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4[nH]ccc4c3)ccc2-c2ccc(N(c3ccccc3)c3cccc4c3C=CCC4)cc21.NSS.
What is the InChIKey of 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine?
The InChIKey is UXUCJUDCXMHJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N3.H3NS2/c1-51(2)47-33-42(53(41-26-29-49-38(32-41)30-31-52-49)40-22-20-36(21-23-40)35-12-5-3-6-13-35)24-27-45(47)46-28-25-43(34-48(46)51)54(39-16-7-4-8-17-39)50-19-11-15-37-14-9-10-18-44(37)50;1-3-2/h3-8,10-13,15-34,52H,9,14H2,1-2H3;2H,1H2.
What are the key properties of 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine?
2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine has a molecular weight of 777.08 g/mol, XLogP of 14.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine is sourced from PubChem (CID 145321926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).