2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine

C70H46N2OS — CID 122504153

About 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine

2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine (PubChem CID 122504153) has the molecular formula C70H46N2OS and a molecular weight of 963.22 g/mol. Its IUPAC name is 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine
• PubChem CID: 122504153
• Molecular Formula: C70H46N2OS
• Molecular Weight: 963.22 g/mol
• Exact Mass: 962.33
• IUPAC Name: 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(-n6c7ccccc7c7ccccc76)cc53)c3ccc5c(c3-4)Sc3ccccc3O5)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C70H46N2OS/c1-69(2)55-25-11-6-21-48(55)50-35-32-44(40-58(50)69)71(61-27-13-8-20-47(61)43-18-4-3-5-19-43)45-34-37-54-60(41-45)70(57-38-39-65-68(67(54)57)74-66-31-17-16-30-64(66)73-65)56-26-12-7-22-49(56)51-36-33-46(42-59(51)70)72-62-28-14-9-23-52(62)53-24-10-15-29-63(53)72/h3-42H,1-2H3
• InChIKey: ICKQNFWWRDRXOY-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 17.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.22
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine?

The IUPAC name of 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine (CID 122504153) is 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine.

What is the SMILES notation for 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine?

The canonical SMILES for 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(-n6c7ccccc7c7ccccc76)cc53)c3ccc5c(c3-4)Sc3ccccc3O5)c3ccccc3-c3ccccc3)cc21.

What is the InChIKey of 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine?

The InChIKey is ICKQNFWWRDRXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2OS/c1-69(2)55-25-11-6-21-48(55)50-35-32-44(40-58(50)69)71(61-27-13-8-20-47(61)43-18-4-3-5-19-43)45-34-37-54-60(41-45)70(57-38-39-65-68(67(54)57)74-66-31-17-16-30-64(66)73-65)56-26-12-7-22-49(56)51-36-33-46(42-59(51)70)72-62-28-14-9-23-52(62)53-24-10-15-29-63(53)72/h3-42H,1-2H3.

What are the key properties of 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine?

2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine has a molecular weight of 963.22 g/mol, XLogP of 18.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]phenoxathiine]-10'-amine is sourced from PubChem (CID 122504153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).