N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C52H39N — CID 155114303

IUPACN-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)C2=CC(N(c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)CC=C2c2ccccc21
InChIInChI=1S/C52H39N/c1-51(2)43-24-10-6-20-38(43)41-31-30-37(33-48(41)51)53(36-19-14-18-35(32-36)34-16-4-3-5-17-34)49-29-15-28-47-50(49)42-23-9-13-27-46(42)52(47)44-25-11-7-21-39(44)40-22-8-12-26-45(40)52/h3-29,31-33,37H,30H2,1-2H3
InChIKeyJXQPPIRERRFXFQ-UHFFFAOYSA-N
MW677.89 g/mol
LogP12.91
Rot. Bonds4

About N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 155114303) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID155114303
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC NameN-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)C2=CC(N(c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)CC=C2c2ccccc21
InChIInChI=1S/C52H39N/c1-51(2)43-24-10-6-20-38(43)41-31-30-37(33-48(41)51)53(36-19-14-18-35(32-36)34-16-4-3-5-17-34)49-29-15-28-47-50(49)42-23-9-13-27-46(42)52(47)44-25-11-7-21-39(44)40-22-8-12-26-45(40)52/h3-29,31-33,37H,30H2,1-2H3
InChIKeyJXQPPIRERRFXFQ-UHFFFAOYSA-N
XLogP12.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane
CID 142604839
9,9-dimethyl-2-N,2-N,5-N,5-N-tetraphenyl-2,3-dihydrofluorene-2,5-diamine
CID 146269900
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 126595186
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582046
2',7'-ditert-butyl-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,9a-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 178165817
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 155114303) is N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)C2=CC(N(c3cccc(-c4ccccc4)c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)CC=C2c2ccccc21.
What is the InChIKey of N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is JXQPPIRERRFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-51(2)43-24-10-6-20-38(43)41-31-30-37(33-48(41)51)53(36-19-14-18-35(32-36)34-16-4-3-5-17-34)49-29-15-28-47-50(49)42-23-9-13-27-46(42)52(47)44-25-11-7-21-39(44)40-22-8-12-26-45(40)52/h3-29,31-33,37H,30H2,1-2H3.
What are the key properties of N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 677.89 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 155114303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).