9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine

C54H37NO — CID 134551319

IUPAC9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4oc4ccccc54)cc3)cc21
InChIInChI=1S/C54H37NO/c1-53(2)45-20-10-6-16-39(45)41-31-29-38(33-48(41)53)55(36-14-4-3-5-15-36)37-27-24-34(25-28-37)35-26-30-42-40-17-7-11-21-46(40)54(49(42)32-35)47-22-12-8-18-43(47)51-44-19-9-13-23-50(44)56-52(51)54/h3-33H,1-2H3
InChIKeyBQJSSLGKEKCOQA-UHFFFAOYSA-N
MW715.90 g/mol
LogP14.22
Rot. Bonds4

About 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine (PubChem CID 134551319) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine
PubChem CID134551319
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4oc4ccccc54)cc3)cc21
InChIInChI=1S/C54H37NO/c1-53(2)45-20-10-6-16-39(45)41-31-29-38(33-48(41)53)55(36-14-4-3-5-15-36)37-27-24-34(25-28-37)35-26-30-42-40-17-7-11-21-46(40)54(49(42)32-35)47-22-12-8-18-43(47)51-44-19-9-13-23-50(44)56-52(51)54/h3-33H,1-2H3
InChIKeyBQJSSLGKEKCOQA-UHFFFAOYSA-N
XLogP14.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-amine
CID 134529774
2-N,8-N',8-N'-triphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529735
2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529776
9,9-dimethyl-N-phenyl-N-(3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 167118024
4-N-[3'-[4-[4-(3,5-diphenyl-N-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylanilino)phenyl]phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134554868
2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(2-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;2-N-naphthalen-1-yl-2-N,8-N'-diphenyl-8-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,8-N'-diphenyl-2-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine;8-N'-naphthalen-1-yl-8-N'-phenyl-2-N,2-N-bis(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 161431533
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247470
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
2-N-naphthalen-1-yl-2-N,9-N'-diphenyl-9-N'-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,9'-diamine
CID 134529977
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine (CID 134551319) is 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4oc4ccccc54)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine?
The InChIKey is BQJSSLGKEKCOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-53(2)45-20-10-6-16-39(45)41-31-29-38(33-48(41)53)55(36-14-4-3-5-15-36)37-27-24-34(25-28-37)35-26-30-42-40-17-7-11-21-46(40)54(49(42)32-35)47-22-12-8-18-43(47)51-44-19-9-13-23-50(44)56-52(51)54/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine has a molecular weight of 715.90 g/mol, XLogP of 14.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 134551319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).