2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C49H40N4 — CID 101058768

IUPAC2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESNC1(c2ccccc2)C=CC2=C3C=CC(N)(c4ccccc4)C=C3C3(C2=C1)C1=CC(N)(c2ccccc2)C=CC1=C1C=CC(N)(c2ccccc2)C=C13
InChIInChI=1S/C49H40N4/c50-45(33-13-5-1-6-14-33)25-21-37-38-22-26-46(51,34-15-7-2-8-16-34)30-42(38)49(41(37)29-45)43-31-47(52,35-17-9-3-10-18-35)27-23-39(43)40-24-28-48(53,32-44(40)49)36-19-11-4-12-20-36/h1-32H,50-53H2
InChIKeyQFQMCSGXAPWYKZ-UHFFFAOYSA-N
MW684.89 g/mol
LogP7.99
Rot. Bonds4

About 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 101058768) has the molecular formula C49H40N4 and a molecular weight of 684.89 g/mol. Its IUPAC name is 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID101058768
Molecular FormulaC49H40N4
Molecular Weight684.89 g/mol
Exact Mass684.33
IUPAC Name2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESNC1(c2ccccc2)C=CC2=C3C=CC(N)(c4ccccc4)C=C3C3(C2=C1)C1=CC(N)(c2ccccc2)C=CC1=C1C=CC(N)(c2ccccc2)C=C13
InChIInChI=1S/C49H40N4/c50-45(33-13-5-1-6-14-33)25-21-37-38-22-26-46(51,34-15-7-2-8-16-34)30-42(38)49(41(37)29-45)43-31-47(52,35-17-9-3-10-18-35)27-23-39(43)40-24-28-48(53,32-44(40)49)36-19-11-4-12-20-36/h1-32H,50-53H2
InChIKeyQFQMCSGXAPWYKZ-UHFFFAOYSA-N
XLogP7.99
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.89
LogP ≤ 57.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

9,9'-spirobi[fluorene]-2',2',7',7'-tetramine
CID 142714030
4-chloro-1-phenylcyclohepta-2,4,6-trien-1-amine
CID 163807139
1,4-diamino-4-phenylcyclohexa-2,5-diene-1-sulfonic acid
CID 174565721
(1S)-1-phenylcyclohexa-2,4-dien-1-amine
CID 97049769
4-amino-2,6-ditert-butyl-4-phenylcyclohexa-2,5-dien-1-one
CID 141114191
1,2-diphenylcyclohexa-2,4-dien-1-amine
CID 141027674
5-chloro-1-methyl-4-phenylcyclohexa-2,4-dien-1-amine
CID 67918445
1,2,3,4,5,6,7,8,9,10-decakis-phenylhexacyclo[4.4.0.02,5.03,9.04,8.07,10]decane
CID 132561908
azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene
CID 175131131
4-phenylcuban-1-amine
CID 102362508
4,6,6-triphenylcyclohexa-2,4-diene-1,1-diol
CID 23514239
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605

Frequently Asked Questions

What is the IUPAC name of 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 101058768) is 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.
What is the SMILES notation for 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is NC1(c2ccccc2)C=CC2=C3C=CC(N)(c4ccccc4)C=C3C3(C2=C1)C1=CC(N)(c2ccccc2)C=CC1=C1C=CC(N)(c2ccccc2)C=C13.
What is the InChIKey of 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is QFQMCSGXAPWYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N4/c50-45(33-13-5-1-6-14-33)25-21-37-38-22-26-46(51,34-15-7-2-8-16-34)30-42(38)49(41(37)29-45)43-31-47(52,35-17-9-3-10-18-35)27-23-39(43)40-24-28-48(53,32-44(40)49)36-19-11-4-12-20-36/h1-32H,50-53H2.
What are the key properties of 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 684.89 g/mol, XLogP of 7.99, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',7,7'-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 101058768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).