N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine

C51H31NS — CID 134551351

IUPACN-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3sc4ccccc4c32)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C51H31NS/c1-2-14-32(15-3-1)52(33-26-28-39-37-18-5-4-16-35(37)36-17-6-7-19-38(36)44(39)30-33)34-27-29-41-40-20-8-11-23-45(40)51(47(41)31-34)46-24-12-9-21-42(46)50-49(51)43-22-10-13-25-48(43)53-50/h1-31H
InChIKeyZXFIEJHVAASGQC-UHFFFAOYSA-N
MW689.88 g/mol
LogP14.17
Rot. Bonds3

About N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine

N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine (PubChem CID 134551351) has the molecular formula C51H31NS and a molecular weight of 689.88 g/mol. Its IUPAC name is N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
PubChem CID134551351
Molecular FormulaC51H31NS
Molecular Weight689.88 g/mol
Exact Mass689.22
IUPAC NameN-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3sc4ccccc4c32)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C51H31NS/c1-2-14-32(15-3-1)52(33-26-28-39-37-18-5-4-16-35(37)36-17-6-7-19-38(36)44(39)30-33)34-27-29-41-40-20-8-11-23-45(40)51(47(41)31-34)46-24-12-9-21-42(46)50-49(51)43-22-10-13-25-48(43)53-50/h1-31H
InChIKeyZXFIEJHVAASGQC-UHFFFAOYSA-N
XLogP14.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.88
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551386
N-(4-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308708
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-(3-dibenzothiophen-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308696
N,2-diphenyl-N-[4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)phenyl]aniline
CID 134551410
N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221
N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308714
N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-1-ylphenyl)dibenzothiophen-2-amine
CID 134551407
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(4-naphtho[1,2-b][1]benzothiol-7-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309214
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156550262
1-N,1-N,4-N-triphenyl-4-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-ylbenzene-1,4-diamine
CID 134551493

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine?
The IUPAC name of N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine (CID 134551351) is N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine.
What is the SMILES notation for N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine?
The canonical SMILES for N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3sc4ccccc4c32)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine?
The InChIKey is ZXFIEJHVAASGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31NS/c1-2-14-32(15-3-1)52(33-26-28-39-37-18-5-4-16-35(37)36-17-6-7-19-38(36)44(39)30-33)34-27-29-41-40-20-8-11-23-45(40)51(47(41)31-34)46-24-12-9-21-42(46)50-49(51)43-22-10-13-25-48(43)53-50/h1-31H.
What are the key properties of N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine?
N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine has a molecular weight of 689.88 g/mol, XLogP of 14.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine is sourced from PubChem (CID 134551351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).