N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine

C52H39NS — CID 142480985

IUPACN-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2C2(C3=C(C=CCC3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)cc32)c2ccccc21
InChIInChI=1S/C52H39NS/c1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)43-18-8-6-16-39(43)40-30-28-38(33-48(40)52)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)37-29-31-50-42(32-37)41-17-7-13-23-49(41)54-50/h3-7,9-17,19-33H,8,18H2,1-2H3
InChIKeyLPXIZUNZGJUPNO-UHFFFAOYSA-N
MW709.96 g/mol
LogP14.28
Rot. Bonds4

About N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 142480985) has the molecular formula C52H39NS and a molecular weight of 709.96 g/mol. Its IUPAC name is N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID142480985
Molecular FormulaC52H39NS
Molecular Weight709.96 g/mol
Exact Mass709.28
IUPAC NameN-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2C2(C3=C(C=CCC3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)cc32)c2ccccc21
InChIInChI=1S/C52H39NS/c1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)43-18-8-6-16-39(43)40-30-28-38(33-48(40)52)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)37-29-31-50-42(32-37)41-17-7-13-23-49(41)54-50/h3-7,9-17,19-33H,8,18H2,1-2H3
InChIKeyLPXIZUNZGJUPNO-UHFFFAOYSA-N
XLogP14.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.96
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
9-dibenzothiophen-2-yl-9-methyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 122593326

Frequently Asked Questions

What is the IUPAC name of N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 142480985) is N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is CC1(C)c2ccccc2C2(C3=C(C=CCC3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)cc32)c2ccccc21.
What is the InChIKey of N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is LPXIZUNZGJUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NS/c1-51(2)44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)43-18-8-6-16-39(43)40-30-28-38(33-48(40)52)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)37-29-31-50-42(32-37)41-17-7-13-23-49(41)54-50/h3-7,9-17,19-33H,8,18H2,1-2H3.
What are the key properties of N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 709.96 g/mol, XLogP of 14.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 142480985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).