9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine

C50H43N — CID 156567857

IUPAC9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)cc3)cc21
InChIInChI=1S/C50H43N/c1-48(2)43-14-8-6-12-39(43)41-22-21-38(28-46(41)48)51(36-10-4-3-5-11-36)37-19-16-32(17-20-37)33-18-23-45-42(26-33)40-13-7-9-15-44(40)50(45)35-25-31-24-34-27-47(50)49(34,29-31)30-35/h3-23,26,28,31,34-35,47H,24-25,27,29-30H2,1-2H3
InChIKeySQNNHTFHENFDRV-UHFFFAOYSA-N
MW657.90 g/mol
LogP12.85
Rot. Bonds4

About 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine (PubChem CID 156567857) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
PubChem CID156567857
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC Name9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)cc3)cc21
InChIInChI=1S/C50H43N/c1-48(2)43-14-8-6-12-39(43)41-22-21-38(28-46(41)48)51(36-10-4-3-5-11-36)37-19-16-32(17-20-37)33-18-23-45-42(26-33)40-13-7-9-15-44(40)50(45)35-25-31-24-34-27-47(50)49(34,29-31)30-35/h3-23,26,28,31,34-35,47H,24-25,27,29-30H2,1-2H3
InChIKeySQNNHTFHENFDRV-UHFFFAOYSA-N
XLogP12.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
CID 156568185
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-(4-phenylphenyl)-N-[4-[4-(3-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 156568159
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)aniline
CID 156567839
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine
CID 156567473
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine (CID 156567857) is 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C7(C6)C5)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine?
The InChIKey is SQNNHTFHENFDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N/c1-48(2)43-14-8-6-12-39(43)41-22-21-38(28-46(41)48)51(36-10-4-3-5-11-36)37-19-16-32(17-20-37)33-18-23-45-42(26-33)40-13-7-9-15-44(40)50(45)35-25-31-24-34-27-47(50)49(34,29-31)30-35/h3-23,26,28,31,34-35,47H,24-25,27,29-30H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine has a molecular weight of 657.90 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 156567857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).