N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C52H37N — CID 66803019

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C52H37N/c1-51(2)44-23-11-6-19-38(44)42-30-28-35(32-48(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)36-29-31-43-41-22-9-14-26-47(41)52(49(43)33-36)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52/h3-33H,1-2H3
InChIKeyRPRCVCFYQHSPED-UHFFFAOYSA-N
MW675.88 g/mol
LogP13.47
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 66803019) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID66803019
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C52H37N/c1-51(2)44-23-11-6-19-38(44)42-30-28-35(32-48(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)36-29-31-43-41-22-9-14-26-47(41)52(49(43)33-36)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52/h3-33H,1-2H3
InChIKeyRPRCVCFYQHSPED-UHFFFAOYSA-N
XLogP13.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 66803019) is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is RPRCVCFYQHSPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-51(2)44-23-11-6-19-38(44)42-30-28-35(32-48(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)36-29-31-43-41-22-9-14-26-47(41)52(49(43)33-36)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 675.88 g/mol, XLogP of 13.47, 4 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)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 66803019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).