(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

C70H46N2S — CID 134533543

IUPAC(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
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)[C@@]2(c4ccccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3c2sc2ccccc32)cc1
InChIInChI=1S/C70H46N2S/c1-6-22-47(23-7-1)69(48-24-8-2-9-25-48)61-35-19-16-32-55(61)57-41-38-53(44-63(57)69)72(51-30-14-5-15-31-51)54-39-42-58-56-33-17-20-36-62(56)70(64(58)45-54)65-46-52(71(49-26-10-3-11-27-49)50-28-12-4-13-29-50)40-43-59(65)67-60-34-18-21-37-66(60)73-68(67)70/h1-46H/t70-/m0/s1
InChIKeyYWAPHGUHILECNZ-YOCANWPGSA-N
MW947.22 g/mol
LogP18.55
Rot. Bonds8

About (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

(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 (PubChem CID 134533543) has the molecular formula C70H46N2S and a molecular weight of 947.22 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134533543
Molecular FormulaC70H46N2S
Molecular Weight947.22 g/mol
Exact Mass946.34
IUPAC Name(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
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)[C@@]2(c4ccccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3c2sc2ccccc32)cc1
InChIInChI=1S/C70H46N2S/c1-6-22-47(23-7-1)69(48-24-8-2-9-25-48)61-35-19-16-32-55(61)57-41-38-53(44-63(57)69)72(51-30-14-5-15-31-51)54-39-42-58-56-33-17-20-36-62(56)70(64(58)45-54)65-46-52(71(49-26-10-3-11-27-49)50-28-12-4-13-29-50)40-43-59(65)67-60-34-18-21-37-66(60)73-68(67)70/h1-46H/t70-/m0/s1
InChIKeyYWAPHGUHILECNZ-YOCANWPGSA-N
XLogP18.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.22
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

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
2-N-phenyl-2-N,8-N',8-N'-tris(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529798
N-(4-bromophenyl)-N,6,6-triphenylindeno[2,1-b][1]benzothiol-8-amine
CID 144856787
2-N-(4-naphthalen-1-ylphenyl)-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529809
2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529814
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
8-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529815
2-N-dibenzothiophen-2-yl-8-N'-dibenzothiophen-4-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529832
N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine
CID 145291813

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)[C@@]2(c4ccccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3c2sc2ccccc32)cc1.
What is the InChIKey of (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?
The InChIKey is YWAPHGUHILECNZ-YOCANWPGSA-N. The full InChI is InChI=1S/C70H46N2S/c1-6-22-47(23-7-1)69(48-24-8-2-9-25-48)61-35-19-16-32-55(61)57-41-38-53(44-63(57)69)72(51-30-14-5-15-31-51)54-39-42-58-56-33-17-20-36-62(56)70(64(58)45-54)65-46-52(71(49-26-10-3-11-27-49)50-28-12-4-13-29-50)40-43-59(65)67-60-34-18-21-37-66(60)73-68(67)70/h1-46H/t70-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 947.22 g/mol, XLogP of 18.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 134533543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).