N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

C43H27NS — CID 146333073

IUPACN-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3ccc(-c4cccc5sc6ccccc6c45)cc3)cccc21
InChIInChI=1S/C43H27NS/c1-5-16-34-30(11-1)31-12-2-6-17-35(31)43(34)36-18-7-3-13-32(36)42-37(43)19-10-20-38(42)44-28-25-23-27(24-26-28)29-15-9-22-40-41(29)33-14-4-8-21-39(33)45-40/h1-26,44H
InChIKeyBNWQSPOMUBRYBK-UHFFFAOYSA-N
MW589.76 g/mol
LogP11.81
Rot. Bonds3

About N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 146333073) has the molecular formula C43H27NS and a molecular weight of 589.76 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID146333073
Molecular FormulaC43H27NS
Molecular Weight589.76 g/mol
Exact Mass589.19
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3ccc(-c4cccc5sc6ccccc6c45)cc3)cccc21
InChIInChI=1S/C43H27NS/c1-5-16-34-30(11-1)31-12-2-6-17-35(31)43(34)36-18-7-3-13-32(36)42-37(43)19-10-20-38(42)44-28-25-23-27(24-26-28)29-15-9-22-40-41(29)33-14-4-8-21-39(33)45-40/h1-26,44H
InChIKeyBNWQSPOMUBRYBK-UHFFFAOYSA-N
XLogP11.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.76
LogP ≤ 511.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-{4-[Bis-(9,9dimethylfluoren-2-yl)amino]phenyl}-2'dimesitylboryl-5,5'-bithiophene
CID 101174918
7-[(E)-2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-methylphenyl)dibenzothiophen-3-amine
CID 89933934
2-Dibenzothiophen-2-yl-10-(9,9-dimethylfluoren-2-yl)-7-fluoro-9,9-dimethylacridine
CID 117890948
N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine
CID 122504114
7-[2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-(2-methylphenyl)dibenzothiophen-3-amine
CID 123795800
6-N,20-N-bis(9,9-dimethylfluoren-4-yl)-6-N,20-N-bis(4-fluorophenyl)-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,20-diamine
CID 124096328
6-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-6-N,9-N,11,11-tetraphenylfluoreno[3,2-b][1]benzothiole-6,9-diamine
CID 124096366
2-N',5-N'-bis(2-fluorophenyl)-2-N',5-N'-dinaphthalen-1-yl-10'-phenylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]-2',5'-diamine
CID 124097785
N-(3-fluoro-4-phenylphenyl)-12-[(3-fluoro-4-phenylphenyl)-(3-phenylphenyl)methyl]-15,15-dimethyl-N-(3-phenylphenyl)-4-thiaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17(22),18,20,23,25,27-tridecaen-20-amine
CID 124097865
4,4,19,19-tetramethyl-22-N-(4-methylphenyl)-12-N,22-N-bis(2-phenylphenyl)-12-N-[4-(trifluoromethyl)phenyl]-15-thiaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18(26),20(25),21,23-dodecaene-12,22-diamine
CID 124097883
12-N,20-N-bis(3-fluoro-4-phenylphenyl)-15,15-dimethyl-12-N,20-N-bis(3-phenylphenyl)-4-thiaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2,5,7,9,11,13,17(22),18,20,23,25,27-tridecaene-12,20-diamine
CID 124097955
12-N-[4-(fluoromethyl)phenyl]-4,4,19,19-tetramethyl-12-N,22-N-bis(2-phenylphenyl)-22-N-[4-(trifluoromethyl)phenyl]-15-thiaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18(26),20(25),21,23-dodecaene-12,22-diamine
CID 124099451

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 146333073) is N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3ccc(-c4cccc5sc6ccccc6c45)cc3)cccc21.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is BNWQSPOMUBRYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NS/c1-5-16-34-30(11-1)31-12-2-6-17-35(31)43(34)36-18-7-3-13-32(36)42-37(43)19-10-20-38(42)44-28-25-23-27(24-26-28)29-15-9-22-40-41(29)33-14-4-8-21-39(33)45-40/h1-26,44H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 589.76 g/mol, XLogP of 11.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 146333073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).