N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine

C43H29NS — CID 118298288

IUPACN-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-16-6-2-7-17-31)39-22-12-10-20-35(39)36-26-24-34(29-40(36)43)44(32-18-8-3-9-19-32)33-25-27-42-38(28-33)37-21-11-13-23-41(37)45-42/h1-29H
InChIKeyKXYQBTVLTQDMOZ-UHFFFAOYSA-N
MW591.78 g/mol
LogP11.89
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine (PubChem CID 118298288) has the molecular formula C43H29NS and a molecular weight of 591.78 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
PubChem CID118298288
Molecular FormulaC43H29NS
Molecular Weight591.78 g/mol
Exact Mass591.20
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-16-6-2-7-17-31)39-22-12-10-20-35(39)36-26-24-34(29-40(36)43)44(32-18-8-3-9-19-32)33-25-27-42-38(28-33)37-21-11-13-23-41(37)45-42/h1-29H
InChIKeyKXYQBTVLTQDMOZ-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-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
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
(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-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177287675
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine (CID 118298288) is N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine?
The InChIKey is KXYQBTVLTQDMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NS/c1-4-14-30(15-5-1)43(31-16-6-2-7-17-31)39-22-12-10-20-35(39)36-26-24-34(29-40(36)43)44(32-18-8-3-9-19-32)33-25-27-42-38(28-33)37-21-11-13-23-41(37)45-42/h1-29H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-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 N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 118298288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).