N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine

C54H43N — CID 170085848

IUPACN-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccc(-c5ccccc5)cc3C43C4CC5CC6CC3C564)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C54H43N/c1-52(2)45-19-11-9-18-41(45)42-25-22-39(32-47(42)52)55(49-20-12-10-17-40(49)34-15-7-4-8-16-34)38-23-26-46-44(31-38)43-24-21-35(33-13-5-3-6-14-33)27-48(43)54(46)50-29-36-28-37-30-51(54)53(36,37)50/h3-27,31-32,36-37,50-51H,28-30H2,1-2H3
InChIKeyONODNZPTOBIJEF-UHFFFAOYSA-N
MW705.95 g/mol
LogP13.74
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine

N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine (PubChem CID 170085848) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine
PubChem CID170085848
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccc(-c5ccccc5)cc3C43C4CC5CC6CC3C564)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C54H43N/c1-52(2)45-19-11-9-18-41(45)42-25-22-39(32-47(42)52)55(49-20-12-10-17-40(49)34-15-7-4-8-16-34)38-23-26-46-44(31-38)43-24-21-35(33-13-5-3-6-14-33)27-48(43)54(46)50-29-36-28-37-30-51(54)53(36,37)50/h3-27,31-32,36-37,50-51H,28-30H2,1-2H3
InChIKeyONODNZPTOBIJEF-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylphenyl)aniline
CID 170292333
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-amine
CID 170085576
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine (CID 170085848) is N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccc(-c5ccccc5)cc3C43C4CC5CC6CC3C564)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine?
The InChIKey is ONODNZPTOBIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-52(2)45-19-11-9-18-41(45)42-25-22-39(32-47(42)52)55(49-20-12-10-17-40(49)34-15-7-4-8-16-34)38-23-26-46-44(31-38)43-24-21-35(33-13-5-3-6-14-33)27-48(43)54(46)50-29-36-28-37-30-51(54)53(36,37)50/h3-27,31-32,36-37,50-51H,28-30H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine?
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine has a molecular weight of 705.95 g/mol, XLogP of 13.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-amine is sourced from PubChem (CID 170085848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).