N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine

C46H29NS — CID 145291813

IUPACN-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine
SMILESc1ccc(N(c2ccc3c(c2)Cc2ccccc2-3)c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C46H29NS/c1-2-13-31(14-3-1)47(32-22-24-35-30(27-32)26-29-12-4-5-15-34(29)35)33-23-25-42-39(28-33)44-38-18-8-11-21-43(38)48-45(44)46(42)40-19-9-6-16-36(40)37-17-7-10-20-41(37)46/h1-25,27-28H,26H2
InChIKeyJRSDWCSPZBUNPO-UHFFFAOYSA-N
MW627.81 g/mol
LogP12.29
Rot. Bonds3

About N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine

N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine (PubChem CID 145291813) has the molecular formula C46H29NS and a molecular weight of 627.81 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine
PubChem CID145291813
Molecular FormulaC46H29NS
Molecular Weight627.81 g/mol
Exact Mass627.20
IUPAC NameN-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine
SMILESc1ccc(N(c2ccc3c(c2)Cc2ccccc2-3)c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C46H29NS/c1-2-13-31(14-3-1)47(32-22-24-35-30(27-32)26-29-12-4-5-15-34(29)35)33-23-25-42-39(28-33)44-38-18-8-11-21-43(38)48-45(44)46(42)40-19-9-6-16-36(40)37-17-7-10-20-41(37)46/h1-25,27-28H,26H2
InChIKeyJRSDWCSPZBUNPO-UHFFFAOYSA-N
XLogP12.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.81
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
9-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,9'-diamine
CID 134530034
N-phenyl-N-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-ylphenyl)dibenzothiophen-3-amine
CID 134551503
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
3-N-dibenzofuran-4-yl-3-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3,9'-diamine
CID 134530057
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
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
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline
CID 134530053

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine?
The IUPAC name of N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine (CID 145291813) is N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine.
What is the SMILES notation for N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine?
The canonical SMILES for N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine is c1ccc(N(c2ccc3c(c2)Cc2ccccc2-3)c2ccc3c(c2)-c2c(sc4ccccc24)C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine?
The InChIKey is JRSDWCSPZBUNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NS/c1-2-13-31(14-3-1)47(32-22-24-35-30(27-32)26-29-12-4-5-15-34(29)35)33-23-25-42-39(28-33)44-38-18-8-11-21-43(38)48-45(44)46(42)40-19-9-6-16-36(40)37-17-7-10-20-41(37)46/h1-25,27-28H,26H2.
What are the key properties of N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine?
N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine has a molecular weight of 627.81 g/mol, XLogP of 12.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-amine is sourced from PubChem (CID 145291813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).