N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine

C52H37NS — CID 140919886

IUPACN-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H37NS/c1-51(2)47-31-35(52(34-15-5-3-6-16-34)45-22-12-9-19-39(45)40-20-10-13-23-46(40)52)25-28-41(47)42-29-26-37(32-48(42)51)53(36-17-7-4-8-18-36)38-27-30-44-43-21-11-14-24-49(43)54-50(44)33-38/h3-33H,1-2H3
InChIKeyIGVJWCIBSOCSCN-UHFFFAOYSA-N
MW707.94 g/mol
LogP14.19
Rot. Bonds5

About N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine

N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine (PubChem CID 140919886) has the molecular formula C52H37NS and a molecular weight of 707.94 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
PubChem CID140919886
Molecular FormulaC52H37NS
Molecular Weight707.94 g/mol
Exact Mass707.26
IUPAC NameN-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H37NS/c1-51(2)47-31-35(52(34-15-5-3-6-16-34)45-22-12-9-19-39(45)40-20-10-13-23-46(40)52)25-28-41(47)42-29-26-37(32-48(42)51)53(36-17-7-4-8-18-36)38-27-30-44-43-21-11-14-24-49(43)54-50(44)33-38/h3-33H,1-2H3
InChIKeyIGVJWCIBSOCSCN-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.94
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
CID 163580869
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
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
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678
8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235118
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-3-amine
CID 156664688

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine (CID 140919886) is N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)ccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine?
The InChIKey is IGVJWCIBSOCSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NS/c1-51(2)47-31-35(52(34-15-5-3-6-16-34)45-22-12-9-19-39(45)40-20-10-13-23-46(40)52)25-28-41(47)42-29-26-37(32-48(42)51)53(36-17-7-4-8-18-36)38-27-30-44-43-21-11-14-24-49(43)54-50(44)33-38/h3-33H,1-2H3.
What are the key properties of N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine?
N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine has a molecular weight of 707.94 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 140919886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).