9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine

C43H29NS — CID 122593297

IUPAC9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)sc2ccccc24)c2ccccc2-3)cc1
InChIInChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-24-26-38-37-21-11-13-23-41(37)45-42(38)28-31)39-22-12-10-20-35(39)36-27-25-34(29-40(36)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-29H
InChIKeyVRYCJUMYZDZEII-UHFFFAOYSA-N
MW591.78 g/mol
LogP11.89
Rot. Bonds5

About 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine

9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine (PubChem CID 122593297) has the molecular formula C43H29NS and a molecular weight of 591.78 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
PubChem CID122593297
Molecular FormulaC43H29NS
Molecular Weight591.78 g/mol
Exact Mass591.20
IUPAC Name9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)sc2ccccc24)c2ccccc2-3)cc1
InChIInChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-24-26-38-37-21-11-13-23-41(37)45-42(38)28-31)39-22-12-10-20-35(39)36-27-25-34(29-40(36)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-29H
InChIKeyVRYCJUMYZDZEII-UHFFFAOYSA-N
XLogP11.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.78
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine
CID 140919886
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
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
CID 157052053
N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 157084846
(9S)-2-N-(9,9-diphenylfluoren-2-yl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134533543
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine
CID 165158322

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine?
The IUPAC name of 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine (CID 122593297) is 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine.
What is the SMILES notation for 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine?
The canonical SMILES for 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc4c(c2)sc2ccccc24)c2ccccc2-3)cc1.
What is the InChIKey of 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine?
The InChIKey is VRYCJUMYZDZEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-24-26-38-37-21-11-13-23-41(37)45-42(38)28-31)39-22-12-10-20-35(39)36-27-25-34(29-40(36)43)44(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine?
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine has a molecular weight of 591.78 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine is sourced from PubChem (CID 122593297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).